data_1fjp_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1fjp _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.93 0.871 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.57 -39.8 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.286 0.565 . . . . 0.0 109.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 64.4 pttt -110.3 -35.42 6.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.894 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 8.1 p -64.59 -12.68 13.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.79 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 3.0 pt20 -75.2 -45.89 37.57 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.053 -1.029 . . . . 0.0 111.179 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.526 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 11.3 p90 -87.11 -34.12 19.22 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.705 -1.247 . . . . 0.0 109.207 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.526 ' HG ' ' CE1' ' A' ' 6' ' ' TYR . 83.2 mt -57.94 -40.59 80.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.035 -1.041 . . . . 0.0 109.61 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -70.53 -41.63 72.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.175 -0.953 . . . . 0.0 110.185 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.69 -42.34 64.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.048 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.49 -8.78 58.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.437 -0.79 . . . . 0.0 110.507 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.98 48.28 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.976 -1.077 . . . . 0.0 110.986 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.548 ' CD1' ' N ' ' A' ' 12' ' ' ILE . 2.4 mp -112.92 -39.5 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 120.966 -1.084 . . . . 0.0 110.799 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' THR . 18.6 mmt85 -65.24 -45.67 83.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 110.48 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.3 mtp-105 -91.38 27.21 2.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.072 -1.018 . . . . 0.0 110.35 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.7 -40.04 0.23 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.312 -0.867 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -97.5 1.56 49.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.282 -0.886 . . . . 0.0 111.709 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 88.2 m -124.73 -12.27 7.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.121 -0.987 . . . . 0.0 110.562 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 tp -110.3 -19.62 6.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.023 -1.048 . . . . 0.0 109.862 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -103.03 -20.03 14.35 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.112 -0.993 . . . . 0.0 110.465 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 24.6 ptm -144.27 55.37 3.33 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 110.436 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 20' ' ' MET . 44.1 Cg_endo -71.36 -29.14 17.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.661 1.348 . . . . 0.0 109.992 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -86.05 -32.7 21.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 110.047 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.3 tp-100 -82.21 -48.1 11.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.269 -0.894 . . . . 0.0 109.876 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.83 66.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.359 -0.838 . . . . 0.0 110.002 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.57 -45.16 89.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 109.988 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -69.51 -45.07 69.77 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.321 -0.862 . . . . 0.0 110.022 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.66 -41.86 87.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.436 -0.79 . . . . 0.0 110.646 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 tp -51.39 -25.08 5.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.231 -0.918 . . . . 0.0 110.353 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.66 -29.1 51.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.78 -30.57 68.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 110.601 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.7 -29.01 70.29 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.093 -1.004 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -73.74 -53.07 11.17 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.4 -0.813 . . . . 0.0 110.91 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.501 HG22 HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.65 -37.43 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.115 -0.99 . . . . 0.0 110.169 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.434 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.6 -54.6 33.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.953 -1.092 . . . . 0.0 109.99 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.42 -46.11 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.0 110.157 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.84 -39.75 82.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.11 -0.994 . . . . 0.0 109.618 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD23 ' CE1' ' A' ' 41' ' ' PHE . 2.5 tm? -63.48 -55.18 26.16 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.424 -0.798 . . . . 0.0 109.123 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 tp -67.91 -23.49 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.67 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HA ' HD21 ' A' ' 42' ' ' LEU . 53.3 tp -79.75 -32.6 41.06 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.257 -0.902 . . . . 0.0 111.581 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.435 HD13 HG23 ' A' ' 40' ' ' ILE . 62.0 mt -96.31 -28.15 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.901 -1.124 . . . . 0.0 111.727 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.494 ' CE1' HD23 ' A' ' 37' ' ' LEU . 9.8 m-85 -82.4 -24.67 34.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 111.029 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.436 HD13 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -59.8 -21.25 60.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.821 -1.174 . . . . 0.0 109.829 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' N ' HD13 ' A' ' 42' ' ' LEU . 62.4 tp -88.73 -37.76 15.24 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.288 -0.882 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.19 -45.29 85.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.868 . . . . 0.0 110.935 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 pt -55.18 -20.72 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.692 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.6 t -82.36 -26.55 32.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 110.859 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.93 -40.93 88.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.184 -0.948 . . . . 0.0 111.287 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 49' ' ' VAL . 28.7 pt -79.06 -34.97 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.023 -1.048 . . . . 0.0 111.06 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.409 ' N ' HG13 ' A' ' 48' ' ' ILE . 64.6 t -72.62 -31.46 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.152 -0.968 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.3 mmt -83.45 -1.96 54.77 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.078 -1.014 . . . . 0.0 111.254 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.88 -38.69 2.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.011 -1.055 . . . . 0.0 110.337 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.141 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 1' ' ' MET . 47.2 tpp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.15 0.5 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -117.37 -6.42 11.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.957 -1.089 . . . . 0.0 110.661 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -103.51 -34.22 8.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.093 -1.004 . . . . 0.0 109.911 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.15 -49.93 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.4 pt20 -54.71 -34.35 62.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.113 -0.992 . . . . 0.0 109.658 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -72.2 -57.88 3.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 0.0 109.744 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -56.81 -32.91 66.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.433 -0.792 . . . . 0.0 110.185 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.4 m -70.27 -48.4 56.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.697 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -49.88 -33.24 16.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.16 -0.962 . . . . 0.0 109.937 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -78.66 -24.51 45.1 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.55 -0.719 . . . . 0.0 109.725 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.97 -50.01 9.63 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.423 -0.798 . . . . 0.0 110.168 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 tp -58.92 -37.46 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -53.05 -23.01 6.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.436 -0.79 . . . . 0.0 109.761 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 4.9 mtp-105 -61.51 -41.06 96.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.913 . . . . 0.0 109.481 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.34 -19.74 13.6 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -89.89 19.56 4.75 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.226 -0.921 . . . . 0.0 110.74 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.2 m -127.17 -15.99 5.12 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.231 -0.918 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.3 tp -94.32 -19.33 6.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 120.895 -1.128 . . . . 0.0 109.593 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 23' ' ' GLN . 16.3 pt-20 -122.72 10.84 9.69 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.297 -0.877 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 49.1 ttm -55.27 -43.72 99.25 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 0.0 112.043 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 20' ' ' MET . 42.9 Cg_endo -72.09 -34.78 7.8 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 122.894 0.944 . . . . 0.0 110.943 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -91.11 -8.37 49.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 110.681 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.454 ' HG3' ' ND2' ' A' ' 27' ' ' ASN . 4.1 tp-100 -100.08 -41.57 7.09 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.124 -0.985 . . . . 0.0 109.845 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.31 82.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.24 -0.912 . . . . 0.0 109.353 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 3.5 ttm105 -55.67 -33.49 64.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.4 mm100 -75.8 -54.87 6.26 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.578 -0.701 . . . . 0.0 109.554 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.454 ' ND2' ' HG3' ' A' ' 23' ' ' GLN . 75.5 m-20 -59.74 -34.73 73.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.466 -0.771 . . . . 0.0 110.663 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.01 -28.13 9.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 110.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 3.7 mm100 -70.73 -58.1 3.99 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.397 -0.814 . . . . 0.0 110.209 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -54.65 -33.42 60.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -0.892 . . . . 0.0 110.22 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.65 -33.29 66.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.25 -0.906 . . . . 0.0 110.031 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -73.75 -63.97 1.1 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.26 -41.66 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.354 -0.842 . . . . 0.0 109.795 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.407 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 21.7 t-20 -63.83 -51.23 65.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.284 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -49.86 -24.42 2.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.206 -0.934 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -94.33 -13.91 25.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 0.0 110.809 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 tp -91.06 -40.11 11.81 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 2.1 mp -78.34 -43.42 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.02 . . . . 0.0 109.531 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' CD2' ' C ' ' A' ' 39' ' ' LEU . 5.1 tt -50.94 -41.22 58.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 0.0 109.668 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 41' ' ' PHE . 28.0 pt -84.59 -38.06 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.374 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' N ' HG13 ' A' ' 40' ' ' ILE . 49.4 t80 -51.88 -38.31 55.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 110.16 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 85.3 mt -63.04 -17.31 62.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 110.74 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.26 -36.78 16.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.119 -0.988 . . . . 0.0 110.846 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 3.8 mm? -75.63 -43.4 48.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.091 -1.006 . . . . 0.0 110.962 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 42' ' ' LEU . 35.4 pt -54.5 -23.51 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.011 -1.055 . . . . 0.0 110.157 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.6 t -78.68 -27.69 45.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.268 -0.895 . . . . 0.0 110.311 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.99 -45.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.295 -0.878 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.446 HG23 HD11 ' A' ' 48' ' ' ILE . 32.8 pt -74.61 -34.67 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.3 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' N ' HG13 ' A' ' 48' ' ' ILE . 66.0 t -65.78 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.914 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.0 mmm -80.71 -10.6 59.72 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.334 -0.854 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.93 -32.4 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.025 -1.047 . . . . 0.0 110.41 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.207 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.774 0.797 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 40.7 p-10 -168.52 -32.56 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.418 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.6 ptpt -112.17 -15.91 13.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.908 -1.12 . . . . 0.0 111.086 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 5' ' ' GLN . 8.4 p -97.78 -24.41 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.424 ' N ' HG12 ' A' ' 4' ' ' VAL . 98.7 mm-40 -90.93 -58.62 2.41 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.956 -1.09 . . . . 0.0 110.503 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -21.19 66.42 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.17 -0.956 . . . . 0.0 110.57 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 62.7 tp -74.71 -58.62 3.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -55.73 -32.62 63.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 0.0 109.916 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 56.8 ttp180 -52.61 -36.36 56.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.339 -0.851 . . . . 0.0 110.011 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -81.26 -17.12 50.52 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.177 -0.952 . . . . 0.0 110.189 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.69 -36.62 12.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.18 -0.95 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 8.3 tp -72.84 -42.1 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.212 -0.93 . . . . 0.0 110.069 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -67.15 -42.35 84.52 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -57.29 -28.77 63.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.332 -0.855 . . . . 0.0 109.908 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HA ' ' CG2' ' A' ' 18' ' ' ILE . . . -98.83 -35.32 10.16 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.425 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 79.0 p -75.03 -2.43 27.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.954 -1.092 . . . . 0.0 110.818 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.9 m -124.53 2.33 8.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.07 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -113.99 -29.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.442 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 55.2 mt-10 -99.75 -25.87 14.23 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.12 -0.987 . . . . 0.0 110.187 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.443 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 48.3 ttm -139.82 63.87 26.9 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 0.0 109.956 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -81.58 -61.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.685 1.36 . . . . 0.0 110.978 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -57.11 -38.42 73.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 20' ' ' MET . 53.5 tt0 -76.0 -47.36 25.19 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.141 -0.974 . . . . 0.0 110.267 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -52.83 -41.41 64.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 109.379 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.04 -35.59 67.07 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.468 -0.77 . . . . 0.0 109.457 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.41 -51.1 9.83 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.566 -0.709 . . . . 0.0 109.946 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.65 -27.12 67.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.482 -0.761 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 3.1 tm? -54.12 -32.86 56.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.427 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 3.5 mm100 -58.61 -43.45 89.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.925 . . . . 0.0 110.443 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -67.59 -44.92 76.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.975 . . . . 0.0 110.738 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.8 tp -52.84 -31.95 41.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.022 -1.049 . . . . 0.0 110.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -63.55 1.23 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.366 -0.834 . . . . 0.0 109.976 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 34' ' ' ASN . 7.6 tp -53.93 -35.28 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.84 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.408 ' N ' HG22 ' A' ' 33' ' ' ILE . 45.3 t30 -70.13 -52.2 25.47 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.248 -0.907 . . . . 0.0 110.285 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.458 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 49.0 t80 -61.88 -31.64 71.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 110.533 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.43 -46.13 74.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 110.747 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -74.1 -47.8 33.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 35' ' ' PHE . 7.6 tp -59.03 -26.32 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.012 -1.055 . . . . 0.0 110.277 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.84 -18.08 63.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.188 -0.945 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.468 HG23 HD12 ' A' ' 40' ' ' ILE . 32.2 pt -121.96 -21.87 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 110.822 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -62.8 -26.93 68.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 110.523 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.8 mt -56.58 -31.19 63.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.149 -0.969 . . . . 0.0 110.439 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.43 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 2.5 tm? -91.24 -36.37 13.95 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.153 -0.967 . . . . 0.0 108.559 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' C ' ' CD2' ' A' ' 44' ' ' LEU . 4.9 tt -54.08 -38.15 64.99 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.447 -0.783 . . . . 0.0 109.583 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 pt -72.92 -27.75 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.292 -0.88 . . . . 0.0 110.18 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.4 m -58.15 -19.79 35.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 0.0 110.758 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 47' ' ' ILE . 1.9 mp -76.24 -57.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.439 ' CD1' ' C ' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -60.62 -31.8 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.24 -0.912 . . . . 0.0 109.025 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' N ' HG22 ' A' ' 48' ' ' ILE . 97.7 t -73.46 -31.95 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.354 -0.841 . . . . 0.0 109.188 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.2 ttp -59.85 -20.3 56.2 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.476 -0.765 . . . . 0.0 110.66 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.17 12.53 28.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.915 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.018 . . . . 0.0 110.076 179.731 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.901 0.858 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 62.4 t0 -147.57 -44.39 0.17 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.289 0.566 . . . . 0.0 110.088 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -108.84 -21.07 12.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.169 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.01 -26.19 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.927 . . . . 0.0 110.028 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.6 pt20 -78.46 -42.76 28.96 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.192 -0.942 . . . . 0.0 110.825 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 2' ' ' ASP . 43.0 m-85 -68.27 -44.19 76.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.898 -1.126 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' C ' ' CD1' ' A' ' 7' ' ' LEU . 3.1 tm? -59.29 -49.68 76.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.662 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.0 m -65.45 -38.72 90.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.501 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 8.3 tpm_? -54.82 -48.59 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 0.0 109.447 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.0 p -73.99 -18.03 60.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.458 -0.776 . . . . 0.0 109.993 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.32 -14.02 56.02 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.255 -0.903 . . . . 0.0 110.812 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' SER . 60.7 mt -124.12 -33.78 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 O-C-N 121.038 -1.039 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 4.7 tmm_? -54.35 -39.79 67.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -75.51 -17.12 60.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.284 -0.885 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.05 10.62 13.09 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.099 -1.0 . . . . 0.0 110.775 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' ILE . 67.7 m -140.11 7.0 2.2 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.097 -1.002 . . . . 0.0 111.811 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -126.42 -25.51 3.46 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.181 -0.949 . . . . 0.0 110.238 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 tp -101.45 -17.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 O-C-N 121.027 -1.045 . . . . 0.0 109.93 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.59 -2.35 7.92 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 49.7 ttm -160.84 63.86 1.9 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.965 . . . . 0.0 109.267 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 20' ' ' MET . 48.6 Cg_endo -83.24 -48.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.828 1.436 . . . . 0.0 110.477 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.09 -48.8 80.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.851 . . . . 0.0 110.348 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.435 ' HB3' ' CG ' ' A' ' 20' ' ' MET . 4.0 tp-100 -69.92 -51.35 33.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.229 -0.92 . . . . 0.0 110.135 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -51.03 -37.36 44.76 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.992 -1.068 . . . . 0.0 109.703 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -60.39 -43.06 97.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.347 -0.845 . . . . 0.0 109.392 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.93 -55.95 10.85 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 110.09 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -56.97 -31.09 64.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.243 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.9 -29.67 70.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.95 -31.68 67.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -60.48 -43.67 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.904 . . . . 0.0 110.635 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.99 -31.67 42.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.952 . . . . 0.0 110.365 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -70.28 -60.77 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.364 -0.835 . . . . 0.0 110.259 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.487 HD13 HG21 ' A' ' 33' ' ' ILE . 67.6 mt -61.77 -32.28 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.202 -0.936 . . . . 0.0 110.178 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.29 -50.99 71.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.664 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.19 -46.62 82.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.416 -0.802 . . . . 0.0 109.399 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.1 -22.53 64.73 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.265 -0.897 . . . . 0.0 110.331 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.433 HD22 ' CB ' ' A' ' 41' ' ' PHE . 6.8 tt -89.98 -45.81 8.94 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.372 -0.83 . . . . 0.0 110.504 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.5 tt -71.24 -19.07 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.258 -0.901 . . . . 0.0 110.739 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -72.07 -19.24 61.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.307 -0.871 . . . . 0.0 111.124 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 41' ' ' PHE . 27.6 pt -131.39 -36.55 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.926 -1.109 . . . . 0.0 111.012 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' HD22 ' A' ' 37' ' ' LEU . 49.1 t80 -55.14 -23.69 22.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.443 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.8 tp -85.11 -62.89 1.43 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.244 -0.91 . . . . 0.0 110.48 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 3.9 pp -61.58 -13.54 22.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.26 -0.9 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.42 ' N ' HD11 ' A' ' 43' ' ' LEU . 53.5 tp -87.04 -57.04 3.12 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 120.953 -1.092 . . . . 0.0 110.915 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.443 HD12 HG21 ' A' ' 45' ' ' ILE . 31.9 pt -53.85 -21.88 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.267 -0.896 . . . . 0.0 110.842 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.3 t -59.19 -33.44 70.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.133 -0.979 . . . . 0.0 110.699 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 47' ' ' ILE . 2.1 mp -82.06 -20.66 10.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.454 HD12 HG21 ' A' ' 48' ' ' ILE . 65.3 mt -90.77 -39.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.235 -0.916 . . . . 0.0 110.461 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.93 -41.63 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.232 -0.918 . . . . 0.0 110.348 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.0 mmm -59.23 -17.45 28.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.08 -1.013 . . . . 0.0 110.655 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.5 mt -97.12 -42.4 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.026 -1.046 . . . . 0.0 110.335 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.248 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.822 0.82 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.02 -41.22 2.55 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.4 0.619 . . . . 0.0 109.655 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -112.77 -29.99 7.22 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.386 -0.821 . . . . 0.0 109.985 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.79 -32.88 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 25.5 pt20 -68.88 -41.27 78.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.914 . . . . 0.0 110.356 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 6.6 t80 -83.81 -36.23 23.66 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.097 -1.002 . . . . 0.0 109.772 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.437 ' CD2' ' C ' ' A' ' 7' ' ' LEU . 5.5 tt -55.81 -35.44 66.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 109.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -74.26 -33.14 63.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.096 -1.003 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.74 -35.5 22.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 110.172 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.8 p -63.66 -16.55 61.29 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.472 -0.767 . . . . 0.0 110.054 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.97 -21.69 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.19 -0.944 . . . . 0.0 110.791 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 12' ' ' ILE . 2.6 mp -92.3 -43.36 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.017 -1.052 . . . . 0.0 110.66 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -54.18 -41.22 68.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.044 -1.035 . . . . 0.0 110.125 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -57.52 -19.21 23.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.28 -14.77 21.14 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.156 -0.965 . . . . 0.0 111.111 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -133.88 17.52 3.85 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.995 -1.065 . . . . 0.0 111.081 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.6 m -127.6 -26.84 2.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.141 -0.974 . . . . 0.0 110.567 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.462 HD12 HG21 ' A' ' 18' ' ' ILE . 61.3 mt -97.03 -17.37 6.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 O-C-N 120.987 -1.071 . . . . 0.0 110.62 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -103.22 -31.67 9.99 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 111.16 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.465 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 67.2 mtm -128.78 51.4 7.24 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 20' ' ' MET . 46.1 Cg_endo -73.77 -21.34 18.97 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 O-C-N 123.637 1.336 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 3.6 mm100 -102.65 -32.76 9.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 53.8 tt0 -83.47 -42.73 16.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.078 -1.013 . . . . 0.0 110.256 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -61.94 -44.7 96.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 109.584 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -59.67 -51.47 69.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.329 -0.857 . . . . 0.0 109.784 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.441 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 11.0 mm100 -69.36 -49.89 51.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 20.0 t-20 -49.99 -30.42 10.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.475 -0.766 . . . . 0.0 110.367 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 2.1 tm? -54.47 -35.2 62.78 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.355 -0.841 . . . . 0.0 109.428 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -70.12 -31.31 68.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.0 110.491 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.439 ' HA ' ' CG2' ' A' ' 33' ' ' ILE . 45.2 t30 -59.02 -32.19 69.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 110.5 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.41 -31.34 71.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.206 -0.934 . . . . 0.0 110.273 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.92 -53.02 7.15 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.19 -0.944 . . . . 0.0 110.381 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 30' ' ' ASN . 12.4 tt -63.93 -37.86 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.152 -0.967 . . . . 0.0 109.785 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 43.7 t30 -62.83 -43.46 98.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 110.236 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 47.3 t80 -55.57 -35.64 65.99 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.3 t -69.2 -29.8 67.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.086 -1.009 . . . . 0.0 109.727 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 41' ' ' PHE . 6.6 tt -80.9 -42.6 21.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.419 -0.801 . . . . 0.0 110.149 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 35' ' ' PHE . 8.3 tp -77.22 -15.77 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 110.431 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.99 -14.51 48.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.307 -0.871 . . . . 0.0 110.952 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.533 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -150.1 -34.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.886 -1.134 . . . . 0.0 111.373 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CB ' HD23 ' A' ' 37' ' ' LEU . 48.0 t80 -49.62 -30.83 9.54 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.896 -1.128 . . . . 0.0 110.504 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 3.7 pp -58.18 -18.2 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 2.9 tm? -93.41 -42.77 9.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.106 -0.996 . . . . 0.0 109.473 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.69 -36.73 81.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.665 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 28.6 pt -55.97 -23.34 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.271 -0.893 . . . . 0.0 110.932 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.44 -58.11 3.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.913 -1.117 . . . . 0.0 111.238 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.0 pt -62.0 -21.88 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.12 -0.988 . . . . 0.0 111.671 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 28.7 pt -94.59 -37.05 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.715 -1.241 . . . . 0.0 111.093 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.428 ' N ' HG13 ' A' ' 48' ' ' ILE . 94.6 t -87.59 -11.95 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.0 -1.063 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.8 tpt -81.64 -16.46 51.36 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 120.956 -1.09 . . . . 0.0 110.401 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.78 -8.24 41.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.669 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.198 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.734 0.778 . . . . 0.0 109.748 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 3.0 p30 -117.38 -23.46 7.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 15.0 ptmm? -105.09 -37.32 6.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 98.0 t -50.1 -24.96 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.146 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 9' ' ' ARG . 95.3 mm-40 -76.5 -52.21 10.24 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 110.333 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 9.8 m-30 -60.87 -48.08 83.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.143 -0.973 . . . . 0.0 110.788 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 4.4 mm? -59.11 -48.64 80.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.13 -0.981 . . . . 0.0 109.951 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -67.75 -57.28 6.61 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.281 -0.887 . . . . 0.0 109.742 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 5' ' ' GLN . 47.2 mmt-85 -52.92 -38.5 61.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 109.944 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 93.3 p -71.1 -23.4 62.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.261 -0.899 . . . . 0.0 109.598 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 -33.56 51.69 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.329 -0.857 . . . . 0.0 110.526 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.0 tp -95.65 -22.8 5.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.157 -0.964 . . . . 0.0 110.335 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' CD ' ' OG1' ' A' ' 17' ' ' THR . 14.2 tpp85 -60.49 -24.11 65.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.213 -0.929 . . . . 0.0 109.881 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 83.6 mtm180 -63.84 -24.03 67.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.366 -0.834 . . . . 0.0 110.113 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.33 -38.01 7.82 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.183 -0.948 . . . . 0.0 110.124 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -73.89 -2.73 25.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -127.05 -2.79 6.43 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.998 -1.064 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 47.9 mm -115.17 -15.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 O-C-N 121.011 -1.056 . . . . 0.0 109.761 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.27 -31.73 12.77 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.25 -0.906 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 80.3 mtp -135.56 51.2 5.25 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.812 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 20' ' ' MET . 45.2 Cg_endo -72.71 -39.52 2.49 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 O-C-N 123.722 1.38 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -73.94 -50.25 20.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 110.533 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -63.09 -52.8 61.26 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.079 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -53.67 -37.7 63.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.965 . . . . 0.0 109.783 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -63.56 -47.88 79.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.939 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -65.35 -54.74 24.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.351 -0.843 . . . . 0.0 110.253 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.38 -36.1 31.16 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.469 -0.769 . . . . 0.0 110.269 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.63 -31.67 37.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.182 -0.948 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 29' ' ' GLN . 10.5 mm100 -71.17 -15.45 62.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 110.72 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -48.36 16.75 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.057 -1.027 . . . . 0.0 110.735 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -51.88 -29.91 21.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 32' ' ' PHE . 6.1 t80 -62.07 -41.37 98.09 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.303 -0.873 . . . . 0.0 110.053 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.532 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 2.3 mp -83.58 -50.22 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' O ' ' CG2' ' A' ' 38' ' ' ILE . 0.7 OUTLIER -52.86 -34.9 56.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.761 179.531 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CE1' ' CD1' ' A' ' 39' ' ' LEU . 5.7 t80 -65.13 -41.94 94.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 110.011 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -81.51 -6.92 59.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.218 -0.927 . . . . 0.0 110.762 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 2.9 tm? -107.26 -32.71 7.67 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.02 -1.05 . . . . 0.0 109.332 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' A' ' 34' ' ' ASN . 8.5 tp -72.84 -37.1 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 110.232 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 90.3 mt -68.53 -23.11 64.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.968 . . . . 0.0 110.813 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 2.1 mp -96.7 -34.54 5.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.041 -1.037 . . . . 0.0 110.34 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.67 -45.4 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 110.641 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 4.0 pp -61.37 -15.74 39.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 110.99 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.438 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 5.5 tt -92.47 -37.42 12.54 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.07 -1.019 . . . . 0.0 109.681 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.36 -46.12 67.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 110.724 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 31.2 pt -58.44 -27.24 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.819 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.0 t -77.38 -28.56 52.87 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.119 -0.988 . . . . 0.0 111.056 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 pt -96.9 3.9 9.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.05 -1.031 . . . . 0.0 111.391 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 31.8 pt -117.59 -26.0 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.841 -1.162 . . . . 0.0 110.179 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.9 t -91.31 -29.66 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 110.182 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ptm -64.93 -17.57 64.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.12 -0.988 . . . . 0.0 110.213 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 2.6 pp -121.96 19.37 10.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 110.45 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 C--N 1.304 -1.398 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.008 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.462 0.648 . . . . 0.0 110.204 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -119.65 -8.99 9.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.892 -1.13 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -112.42 -31.78 6.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 0.0 110.628 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.06 -22.44 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.155 -0.966 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -81.57 -67.11 0.81 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.189 -0.944 . . . . 0.0 110.644 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 9.8 m-30 -53.96 -31.86 51.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.255 -0.903 . . . . 0.0 110.704 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' ALA . 57.2 tp -71.72 -56.6 5.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -58.01 -43.08 86.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.293 -0.879 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.65 -23.6 4.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.21 -0.931 . . . . 0.0 110.443 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -121.87 -8.86 8.86 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.316 -0.865 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -95.32 -13.04 25.12 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.005 -1.059 . . . . 0.0 110.843 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.461 HG22 HD12 ' A' ' 12' ' ' ILE . 46.1 mm -130.38 -33.8 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 121.015 -1.053 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.44 -57.11 10.18 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.883 -1.136 . . . . 0.0 109.827 -179.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -85.15 9.94 13.57 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.127 -0.983 . . . . 0.0 110.64 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.89 -14.76 8.0 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 121.094 -1.004 . . . . 0.0 110.757 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -131.92 0.29 3.86 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.976 -1.077 . . . . 0.0 111.79 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 86.4 m -125.7 1.55 7.49 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.175 -0.953 . . . . 0.0 110.015 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.422 ' CD1' ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.73 -27.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 108.767 179.085 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 19' ' ' GLU . 44.4 tp10 -103.46 -31.05 10.17 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.19 -0.944 . . . . 0.0 110.473 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -132.82 59.57 43.89 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.304 -0.873 . . . . 0.0 110.439 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.4 -34.17 6.19 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.699 1.368 . . . . 0.0 110.209 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.24 -38.78 30.32 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -74.27 -51.55 14.96 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.266 -0.896 . . . . 0.0 109.906 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.96 -43.02 60.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -68.16 -28.99 67.77 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.373 -0.829 . . . . 0.0 108.941 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 4.3 tp-100 -75.9 -61.79 1.81 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.665 -0.647 . . . . 0.0 109.796 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -50.11 -30.13 10.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.521 -0.737 . . . . 0.0 110.617 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.04 -25.39 2.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.884 . . . . 0.0 110.706 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 25.7 pt20 -56.21 -21.34 22.59 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.214 -0.929 . . . . 0.0 110.492 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -54.45 -39.19 67.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.485 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 35' ' ' PHE . 58.9 tp -55.23 -32.16 62.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -59.2 2.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.249 -0.907 . . . . 0.0 110.283 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 33' ' ' ILE . 10.9 tt -56.86 -23.04 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.22 -0.925 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -74.72 -62.6 1.48 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.218 -0.927 . . . . 0.0 110.344 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CZ ' ' CD1' ' A' ' 31' ' ' LEU . 13.1 m-30 -56.95 -18.75 14.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.869 . . . . 0.0 110.761 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.53 -40.74 20.58 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.977 -1.077 . . . . 0.0 110.606 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.8 mt -84.42 -35.42 23.09 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 110.875 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.8 mm -68.0 -34.05 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.765 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.43 ' CD1' ' O ' ' A' ' 35' ' ' PHE . 93.3 mt -78.04 -18.86 55.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 110.777 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.9 mt -105.5 -33.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.104 -0.997 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.56 -40.05 86.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.204 -0.935 . . . . 0.0 110.471 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.24 -43.79 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 109.799 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -74.23 -31.63 62.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.279 -0.888 . . . . 0.0 109.961 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' CD1' ' C ' ' A' ' 44' ' ' LEU . 2.7 tm? -63.62 -54.1 41.11 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.259 -0.9 . . . . 0.0 110.212 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 45' ' ' ILE . 29.7 pt -60.11 -22.88 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.127 -0.983 . . . . 0.0 110.731 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.16 -39.51 75.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.721 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.1 mt -59.32 -22.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.154 -0.966 . . . . 0.0 110.654 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.2 mt -92.02 -29.56 4.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.282 -0.886 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.3 t -73.11 -39.28 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.28 -0.888 . . . . 0.0 110.31 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.9 mtp -62.24 -20.1 63.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 110.492 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 51' ' ' LEU . 6.7 mp -110.46 -57.9 2.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.068 -1.02 . . . . 0.0 110.292 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 52' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.124 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptp . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.838 0.828 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 2.7 p30 -167.39 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.616 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.4 ptpt -113.84 -25.47 8.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.871 -1.143 . . . . 0.0 110.305 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 5' ' ' GLN . 35.6 m -72.04 -23.61 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.146 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.455 ' N ' HG22 ' A' ' 4' ' ' VAL . 98.1 mm-40 -77.95 -58.4 3.28 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.232 -0.918 . . . . 0.0 110.022 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -59.26 -33.25 70.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.196 -0.94 . . . . 0.0 110.065 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.83 -52.66 62.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 110.167 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -68.47 -25.58 65.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.227 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -48.46 -33.56 9.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.36 -0.837 . . . . 0.0 110.01 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -64.21 -28.17 69.56 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.502 -0.749 . . . . 0.0 109.601 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.63 -31.72 32.28 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.276 -0.89 . . . . 0.0 109.852 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -71.08 -50.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -61.77 -21.02 64.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 0.0 110.393 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 tpt85 -63.8 -22.57 66.98 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.16 -0.963 . . . . 0.0 109.728 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.16 -24.58 6.93 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.327 -0.858 . . . . 0.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 t -95.84 23.66 6.11 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.182 -0.949 . . . . 0.0 110.925 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.3 m -127.77 -11.78 5.46 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.114 -0.991 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.04 -28.87 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.035 -1.041 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -116.61 -18.67 10.27 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.306 -0.871 . . . . 0.0 110.41 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.503 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.1 tpt -63.22 -43.79 81.61 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.943 . . . . 0.0 111.232 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 20' ' ' MET . 45.3 Cg_endo -74.78 -49.28 0.16 Allowed 'Trans proline' 0 C--N 1.319 -1.01 0 O-C-N 122.877 0.935 . . . . 0.0 110.147 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -57.16 -32.11 66.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 109.652 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.42 -42.08 17.38 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.404 -0.81 . . . . 0.0 109.914 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.49 -41.04 63.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.09 -50.31 73.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.458 -0.777 . . . . 0.0 109.291 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.07 -53.9 11.46 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.446 -0.784 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -54.58 -20.47 8.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.497 -0.752 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' C ' ' CD2' ' A' ' 28' ' ' LEU . 5.6 tt -50.59 -32.79 19.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -0.988 . . . . 0.0 109.761 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' ASN . 19.2 pt20 -54.06 -37.09 63.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.109 -0.995 . . . . 0.0 109.505 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 74.9 m-20 -78.28 -39.67 39.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.45 -0.781 . . . . 0.0 110.255 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -53.27 -33.89 55.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 109.752 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -58.52 -61.43 2.6 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.42 -0.8 . . . . 0.0 109.799 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -68.15 -37.13 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.402 -0.811 . . . . 0.0 109.942 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -55.3 -45.14 76.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.148 -0.97 . . . . 0.0 109.331 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.42 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 5.8 t80 -62.97 -28.85 70.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.451 -0.781 . . . . 0.0 109.091 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.7 m -96.31 1.94 52.38 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.462 -0.774 . . . . 0.0 110.536 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 50.9 tp -118.42 -12.08 9.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.088 -1.007 . . . . 0.0 110.939 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.403 ' HA ' HD23 ' A' ' 42' ' ' LEU . 50.7 mm -114.24 -20.86 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.919 -1.113 . . . . 0.0 110.07 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.2 pt? -55.63 -17.18 5.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.348 -0.845 . . . . 0.0 111.181 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.4 tt -167.04 -31.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.747 -1.22 . . . . 0.0 112.706 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 58.4 m-85 -58.83 -18.16 30.04 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.616 -1.302 . . . . 0.0 111.428 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 4.3 mm? -93.49 -18.23 22.52 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.823 -1.173 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 57.8 tp -90.74 -50.37 5.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.265 -0.897 . . . . 0.0 109.939 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' A' ' 44' ' ' LEU . 4.6 tt -56.46 -41.56 76.72 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.261 -0.9 . . . . 0.0 110.054 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.473 HD13 HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -54.48 -27.61 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.155 -0.966 . . . . 0.0 110.032 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.481 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 41.9 t -75.89 -14.18 60.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.047 -1.033 . . . . 0.0 111.266 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.517 ' CD1' ' N ' ' A' ' 47' ' ' ILE . 1.8 mp -77.68 -27.1 15.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.93 -1.107 . . . . 0.0 110.031 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 45' ' ' ILE . 40.6 pt -93.31 -25.45 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 19.3 m -73.71 -35.46 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.031 -1.043 . . . . 0.0 109.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mmm -73.07 -16.04 61.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.442 -0.786 . . . . 0.0 110.963 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -122.88 -48.23 2.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 110.692 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' ILE . 84.1 mt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.435 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 tpp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.085 0.469 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.27 -0.57 12.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.874 -1.141 . . . . 0.0 110.389 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -113.3 -30.36 6.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.91 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 p -83.19 -13.66 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 0.0 110.108 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -80.36 -69.57 0.58 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.227 -0.92 . . . . 0.0 110.193 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 9.9 m-30 -58.56 -35.12 71.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.28 -45.04 80.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.1 m -70.05 -34.07 72.76 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.35 -0.844 . . . . 0.0 110.426 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -51.21 -40.82 59.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.114 -0.991 . . . . 0.0 109.969 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -64.76 -20.69 66.5 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.385 -0.822 . . . . 0.0 109.502 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.08 -21.75 36.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.241 -0.912 . . . . 0.0 110.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.57 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.329 -0.857 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 11.2 tpt180 -53.71 -39.95 65.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.751 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.428 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 50.4 ttt-85 -53.43 -29.83 37.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 110.676 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.24 -34.66 9.15 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.171 -0.955 . . . . 0.0 111.199 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 82.8 p -76.45 -0.18 22.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.035 -1.041 . . . . 0.0 111.121 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.8 m -125.1 14.01 8.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 109.814 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 46.9 mm -123.68 -24.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.371 -0.83 . . . . 0.0 110.24 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 19' ' ' GLU . 44.2 tp10 -118.54 -13.29 9.7 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.09 -1.006 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.515 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 57.2 ttp -56.98 -43.35 99.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 0.0 111.9 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 20' ' ' MET . 43.1 Cg_endo -72.81 -39.83 2.23 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 122.847 0.92 . . . . 0.0 110.589 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.419 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 3.5 mm100 -69.05 -33.99 74.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.1 tp-100 -83.28 -41.81 17.89 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.294 -0.878 . . . . 0.0 110.029 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.3 65.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 109.4 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.41 -43.11 79.02 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.414 -0.804 . . . . 0.0 109.327 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 26' ' ' GLN . 3.7 mm100 -72.32 -49.94 30.72 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.589 -0.695 . . . . 0.0 109.803 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -61.82 -19.07 62.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.551 -0.718 . . . . 0.0 110.439 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.29 -39.51 67.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.117 -0.99 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.76 -37.31 87.16 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.275 -0.891 . . . . 0.0 110.022 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.88 -33.96 72.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.363 -0.836 . . . . 0.0 110.134 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.47 -27.27 65.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.386 -0.821 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -81.83 -33.15 30.85 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.191 -0.943 . . . . 0.0 110.384 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.0 mt -79.66 -42.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.216 -0.927 . . . . 0.0 110.43 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -63.94 -48.26 77.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.855 . . . . 0.0 110.462 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -48.89 79.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 109.758 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.14 -25.99 62.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.007 -1.058 . . . . 0.0 109.691 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' CD2' ' C ' ' A' ' 37' ' ' LEU . 6.4 tt -80.8 -52.6 7.33 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.459 -0.776 . . . . 0.0 109.805 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 tp -69.61 -14.54 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.22 -0.925 . . . . 0.0 110.773 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 tp -71.62 -24.89 61.96 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.184 -0.947 . . . . 0.0 111.563 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 41' ' ' PHE . 26.2 pt -128.97 -38.41 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.741 -1.224 . . . . 0.0 111.104 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.44 ' N ' HG13 ' A' ' 40' ' ' ILE . 42.6 m-85 -66.08 -14.93 62.58 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 110.498 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 43' ' ' LEU . 2.7 pt? -55.93 -34.15 65.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.943 -1.098 . . . . 0.0 109.683 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 61.5 tp -78.78 -26.9 44.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.059 -1.025 . . . . 0.0 110.207 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.7 mm? -75.29 -44.75 43.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.453 -0.78 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 pt -65.81 -22.82 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.111 -0.993 . . . . 0.0 110.089 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.11 -52.44 7.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 111.562 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 47' ' ' ILE . 33.7 pt -55.1 -22.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.876 -1.14 . . . . 0.0 110.97 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.6 pt -92.23 -31.81 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.044 -1.035 . . . . 0.0 110.5 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.3 t -91.64 -38.92 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 110.225 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mmt -63.58 -24.28 67.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 110.347 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.4 mt -97.29 -7.22 32.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.362 -0.836 . . . . 0.0 110.567 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.088 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.431 ' HG3' ' CG2' ' A' ' 4' ' ' VAL . 51.9 ttp . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.539 0.685 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 12.0 p-10 -169.36 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 109.914 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.446 ' NZ ' HD11 ' A' ' 7' ' ' LEU . 57.0 tttm -86.34 -35.59 19.75 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.401 -0.812 . . . . 0.0 110.327 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.431 ' CG2' ' HG3' ' A' ' 1' ' ' MET . 27.8 m -64.44 -24.29 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.406 ' NE2' ' HE2' ' A' ' 1' ' ' MET . 85.3 mt-30 -72.5 -53.93 10.67 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.413 -0.804 . . . . 0.0 110.305 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 2' ' ' ASP . 42.7 m-85 -58.58 -47.92 82.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.079 -1.013 . . . . 0.0 110.083 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD11 ' NZ ' ' A' ' 3' ' ' LYS . 93.3 mt -56.62 -42.01 78.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.143 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -64.37 -55.35 21.74 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.941 . . . . 0.0 109.874 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 41.2 ttm-85 -51.94 -34.56 42.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.279 -0.888 . . . . 0.0 109.877 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -76.13 -16.15 59.94 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.893 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.33 -40.96 8.87 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 121.302 -0.874 . . . . 0.0 109.984 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.4 tp -63.69 -38.2 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.298 -0.876 . . . . 0.0 110.215 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 20.3 mmt85 -64.79 -23.35 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.054 -1.028 . . . . 0.0 110.215 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.2 mmt-85 -77.03 -17.85 58.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 110.493 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.16 0.96 16.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.144 -0.972 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.0 p -123.73 -6.0 8.03 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.025 -1.047 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.2 m -125.57 -14.99 6.2 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.331 -0.856 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.539 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 2.5 mp -107.71 -10.5 10.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.17 -0.956 . . . . 0.0 109.704 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -118.79 -31.43 4.81 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.019 -1.051 . . . . 0.0 110.462 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.42 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 83.3 mtp -141.12 65.82 23.36 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.224 -0.923 . . . . 0.0 110.389 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -87.01 -80.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.669 1.352 . . . . 0.0 111.013 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.2 pt20 -56.73 -24.67 51.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 111.029 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -82.4 -62.07 1.72 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.91 -1.119 . . . . 0.0 110.345 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -50.38 -39.49 46.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.955 -1.09 . . . . 0.0 110.224 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.97 -55.59 18.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.214 -0.929 . . . . 0.0 110.119 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 13.4 mm100 -64.86 -50.82 65.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.337 -0.852 . . . . 0.0 110.291 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -55.15 -35.0 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.479 -0.763 . . . . 0.0 111.164 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' A' ' 28' ' ' LEU . 5.7 tt -56.08 -33.95 65.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.817 -1.177 . . . . 0.0 109.785 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.54 -37.63 22.76 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.245 -0.91 . . . . 0.0 110.226 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -53.42 -33.32 53.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.0 110.194 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.528 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 57.8 tp -58.37 -32.13 68.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.278 -0.889 . . . . 0.0 110.083 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -78.55 -40.55 34.57 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.365 -0.834 . . . . 0.0 110.949 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.532 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 2.1 mp -81.12 -45.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.033 -1.042 . . . . 0.0 109.928 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -53.01 -37.37 61.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.254 -0.904 . . . . 0.0 109.96 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.528 ' CE1' ' CD1' ' A' ' 31' ' ' LEU . 10.0 m-85 -84.14 -21.3 31.42 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.343 -0.848 . . . . 0.0 109.695 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.3 -37.52 37.54 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.774 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 tp -72.52 -51.53 19.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.375 -0.828 . . . . 0.0 110.182 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 tp -56.57 -39.6 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.338 -0.851 . . . . 0.0 110.012 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 39' ' ' LEU . 4.9 tt -59.0 -52.65 64.86 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.296 -0.877 . . . . 0.0 109.452 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.49 -44.02 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' HD11 ' A' ' 45' ' ' ILE . 48.5 t80 -53.4 -48.85 68.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.793 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 46' ' ' CYS . 4.8 tt -54.55 -41.57 69.92 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.309 -0.869 . . . . 0.0 109.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.97 -51.53 69.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.265 -0.897 . . . . 0.0 111.487 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 4.1 mm? -65.47 -49.24 69.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 111.303 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 1.8 mp -72.41 -1.96 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 111.251 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 40.9 t -93.82 -28.77 15.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.706 -1.246 . . . . 0.0 110.676 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.06 -13.98 17.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.156 -0.965 . . . . 0.0 110.868 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 49' ' ' VAL . 8.6 tp -99.03 -36.56 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.095 -1.003 . . . . 0.0 110.684 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.441 ' N ' HG23 ' A' ' 48' ' ' ILE . 14.3 p -75.58 -30.67 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.129 -0.982 . . . . 0.0 110.514 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 mmt -74.66 -2.33 25.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -106.8 12.5 28.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 110.661 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.019 -1.051 . . . . 0.0 110.147 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.93 0.871 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.57 -39.8 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.286 0.565 . . . . 0.0 109.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 64.4 pttt -110.3 -35.42 6.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.894 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 8.1 p -64.59 -12.68 13.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.79 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 3.0 pt20 -75.2 -45.89 37.57 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.053 -1.029 . . . . 0.0 111.179 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.526 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 11.3 p90 -87.11 -34.12 19.22 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.705 -1.247 . . . . 0.0 109.207 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.526 ' HG ' ' CE1' ' A' ' 6' ' ' TYR . 83.2 mt -57.94 -40.59 80.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.035 -1.041 . . . . 0.0 109.61 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -70.53 -41.63 72.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.175 -0.953 . . . . 0.0 110.185 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.69 -42.34 64.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.048 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.49 -8.78 58.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.437 -0.79 . . . . 0.0 110.507 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.98 48.28 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.976 -1.077 . . . . 0.0 110.986 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.548 ' CD1' ' N ' ' A' ' 12' ' ' ILE . 2.4 mp -112.92 -39.5 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 120.966 -1.084 . . . . 0.0 110.799 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' THR . 18.6 mmt85 -65.24 -45.67 83.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 110.48 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.3 mtp-105 -91.38 27.21 2.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.072 -1.018 . . . . 0.0 110.35 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.7 -40.04 0.23 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.312 -0.867 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -97.5 1.56 49.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.282 -0.886 . . . . 0.0 111.709 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 88.2 m -124.73 -12.27 7.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.121 -0.987 . . . . 0.0 110.562 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 tp -110.3 -19.62 6.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.023 -1.048 . . . . 0.0 109.862 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -103.03 -20.03 14.35 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.112 -0.993 . . . . 0.0 110.465 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 24.6 ptm -144.27 55.37 3.33 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 110.436 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 20' ' ' MET . 44.1 Cg_endo -71.36 -29.14 17.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.661 1.348 . . . . 0.0 109.992 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -86.05 -32.7 21.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 110.047 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.3 tp-100 -82.21 -48.1 11.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.269 -0.894 . . . . 0.0 109.876 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.83 66.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.359 -0.838 . . . . 0.0 110.002 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.57 -45.16 89.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 109.988 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -69.51 -45.07 69.77 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.321 -0.862 . . . . 0.0 110.022 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.66 -41.86 87.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.436 -0.79 . . . . 0.0 110.646 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 tp -51.39 -25.08 5.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.231 -0.918 . . . . 0.0 110.353 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.66 -29.1 51.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.78 -30.57 68.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 110.601 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.7 -29.01 70.29 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.093 -1.004 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -73.74 -53.07 11.17 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.4 -0.813 . . . . 0.0 110.91 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.501 HG22 HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.65 -37.43 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.115 -0.99 . . . . 0.0 110.169 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.6 -54.6 33.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.953 -1.092 . . . . 0.0 109.99 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.42 -46.11 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.0 110.157 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.84 -39.75 82.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.11 -0.994 . . . . 0.0 109.618 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD23 ' CE1' ' A' ' 41' ' ' PHE . 2.5 tm? -63.48 -55.18 26.16 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.424 -0.798 . . . . 0.0 109.123 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 tp -67.91 -23.49 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.67 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HA ' HD21 ' A' ' 42' ' ' LEU . 53.3 tp -79.75 -32.6 41.06 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.257 -0.902 . . . . 0.0 111.581 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.435 HD13 HG23 ' A' ' 40' ' ' ILE . 62.0 mt -96.31 -28.15 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.901 -1.124 . . . . 0.0 111.727 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.494 ' CE1' HD23 ' A' ' 37' ' ' LEU . 9.8 m-85 -82.4 -24.67 34.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 111.029 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.436 HD13 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -59.8 -21.25 60.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.821 -1.174 . . . . 0.0 109.829 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' N ' HD13 ' A' ' 42' ' ' LEU . 62.4 tp -88.73 -37.76 15.24 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.288 -0.882 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.19 -45.29 85.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.868 . . . . 0.0 110.935 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 pt -55.18 -20.72 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.692 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.6 t -82.36 -26.55 32.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 110.859 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.93 -40.93 88.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.184 -0.948 . . . . 0.0 111.287 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 49' ' ' VAL . 28.7 pt -79.06 -34.97 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.023 -1.048 . . . . 0.0 111.06 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.409 ' N ' HG13 ' A' ' 48' ' ' ILE . 64.6 t -72.62 -31.46 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.152 -0.968 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.3 mmt -83.45 -1.96 54.77 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.078 -1.014 . . . . 0.0 111.254 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.88 -38.69 2.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.011 -1.055 . . . . 0.0 110.337 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.141 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 1' ' ' MET . 47.2 tpp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.15 0.5 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -117.37 -6.42 11.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.957 -1.089 . . . . 0.0 110.661 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -103.51 -34.22 8.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.093 -1.004 . . . . 0.0 109.911 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.15 -49.93 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.4 pt20 -54.71 -34.35 62.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.113 -0.992 . . . . 0.0 109.658 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -72.2 -57.88 3.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 0.0 109.744 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -56.81 -32.91 66.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.433 -0.792 . . . . 0.0 110.185 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.4 m -70.27 -48.4 56.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.697 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -49.88 -33.24 16.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.16 -0.962 . . . . 0.0 109.937 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -78.66 -24.51 45.1 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.55 -0.719 . . . . 0.0 109.725 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.97 -50.01 9.63 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.423 -0.798 . . . . 0.0 110.168 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 tp -58.92 -37.46 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -53.05 -23.01 6.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.436 -0.79 . . . . 0.0 109.761 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 4.9 mtp-105 -61.51 -41.06 96.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.913 . . . . 0.0 109.481 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.34 -19.74 13.6 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -89.89 19.56 4.75 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.226 -0.921 . . . . 0.0 110.74 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.2 m -127.17 -15.99 5.12 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.231 -0.918 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.3 tp -94.32 -19.33 6.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 120.895 -1.128 . . . . 0.0 109.593 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 23' ' ' GLN . 16.3 pt-20 -122.72 10.84 9.69 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.297 -0.877 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.507 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 49.1 ttm -55.27 -43.72 99.25 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 0.0 112.043 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 20' ' ' MET . 42.9 Cg_endo -72.09 -34.78 7.8 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 122.894 0.944 . . . . 0.0 110.943 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -91.11 -8.37 49.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 110.681 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.454 ' HG3' ' ND2' ' A' ' 27' ' ' ASN . 4.1 tp-100 -100.08 -41.57 7.09 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.124 -0.985 . . . . 0.0 109.845 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.31 82.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.24 -0.912 . . . . 0.0 109.353 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 3.5 ttm105 -55.67 -33.49 64.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.4 mm100 -75.8 -54.87 6.26 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.578 -0.701 . . . . 0.0 109.554 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' ND2' ' HG3' ' A' ' 23' ' ' GLN . 75.5 m-20 -59.74 -34.73 73.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.466 -0.771 . . . . 0.0 110.663 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.01 -28.13 9.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 110.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 3.7 mm100 -70.73 -58.1 3.99 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.397 -0.814 . . . . 0.0 110.209 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -54.65 -33.42 60.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -0.892 . . . . 0.0 110.22 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.65 -33.29 66.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.25 -0.906 . . . . 0.0 110.031 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -73.75 -63.97 1.1 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.26 -41.66 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.354 -0.842 . . . . 0.0 109.795 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.407 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 21.7 t-20 -63.83 -51.23 65.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.284 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -49.86 -24.42 2.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.206 -0.934 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -94.33 -13.91 25.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 0.0 110.809 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 tp -91.06 -40.11 11.81 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 2.1 mp -78.34 -43.42 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.02 . . . . 0.0 109.531 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' CD2' ' C ' ' A' ' 39' ' ' LEU . 5.1 tt -50.94 -41.22 58.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 0.0 109.668 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 41' ' ' PHE . 28.0 pt -84.59 -38.06 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.374 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' N ' HG13 ' A' ' 40' ' ' ILE . 49.4 t80 -51.88 -38.31 55.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 110.16 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 85.3 mt -63.04 -17.31 62.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 110.74 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.26 -36.78 16.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.119 -0.988 . . . . 0.0 110.846 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 3.8 mm? -75.63 -43.4 48.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.091 -1.006 . . . . 0.0 110.962 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 42' ' ' LEU . 35.4 pt -54.5 -23.51 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.011 -1.055 . . . . 0.0 110.157 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.6 t -78.68 -27.69 45.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.268 -0.895 . . . . 0.0 110.311 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.99 -45.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.295 -0.878 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.446 HG23 HD11 ' A' ' 48' ' ' ILE . 32.8 pt -74.61 -34.67 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.3 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' N ' HG13 ' A' ' 48' ' ' ILE . 66.0 t -65.78 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.914 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.0 mmm -80.71 -10.6 59.72 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.334 -0.854 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.93 -32.4 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.025 -1.047 . . . . 0.0 110.41 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.207 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.774 0.797 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 40.7 p-10 -168.52 -32.56 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.418 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.6 ptpt -112.17 -15.91 13.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.908 -1.12 . . . . 0.0 111.086 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 5' ' ' GLN . 8.4 p -97.78 -24.41 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' N ' HG12 ' A' ' 4' ' ' VAL . 98.7 mm-40 -90.93 -58.62 2.41 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.956 -1.09 . . . . 0.0 110.503 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -21.19 66.42 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.17 -0.956 . . . . 0.0 110.57 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 62.7 tp -74.71 -58.62 3.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -55.73 -32.62 63.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 0.0 109.916 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 56.8 ttp180 -52.61 -36.36 56.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.339 -0.851 . . . . 0.0 110.011 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -81.26 -17.12 50.52 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.177 -0.952 . . . . 0.0 110.189 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.69 -36.62 12.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.18 -0.95 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 8.3 tp -72.84 -42.1 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.212 -0.93 . . . . 0.0 110.069 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -67.15 -42.35 84.52 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -57.29 -28.77 63.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.332 -0.855 . . . . 0.0 109.908 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HA ' ' CG2' ' A' ' 18' ' ' ILE . . . -98.83 -35.32 10.16 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.425 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 79.0 p -75.03 -2.43 27.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.954 -1.092 . . . . 0.0 110.818 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.9 m -124.53 2.33 8.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.07 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -113.99 -29.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.442 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 55.2 mt-10 -99.75 -25.87 14.23 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.12 -0.987 . . . . 0.0 110.187 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.443 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 48.3 ttm -139.82 63.87 26.9 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 0.0 109.956 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -81.58 -61.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.685 1.36 . . . . 0.0 110.978 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -57.11 -38.42 73.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 20' ' ' MET . 53.5 tt0 -76.0 -47.36 25.19 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.141 -0.974 . . . . 0.0 110.267 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -52.83 -41.41 64.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 109.379 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.04 -35.59 67.07 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.468 -0.77 . . . . 0.0 109.457 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.41 -51.1 9.83 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.566 -0.709 . . . . 0.0 109.946 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.65 -27.12 67.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.482 -0.761 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 3.1 tm? -54.12 -32.86 56.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.427 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 3.5 mm100 -58.61 -43.45 89.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.925 . . . . 0.0 110.443 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -67.59 -44.92 76.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.975 . . . . 0.0 110.738 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.8 tp -52.84 -31.95 41.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.022 -1.049 . . . . 0.0 110.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -63.55 1.23 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.366 -0.834 . . . . 0.0 109.976 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 34' ' ' ASN . 7.6 tp -53.93 -35.28 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.84 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.408 ' N ' HG22 ' A' ' 33' ' ' ILE . 45.3 t30 -70.13 -52.2 25.47 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.248 -0.907 . . . . 0.0 110.285 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.458 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 49.0 t80 -61.88 -31.64 71.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 110.533 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.43 -46.13 74.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 110.747 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -74.1 -47.8 33.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 35' ' ' PHE . 7.6 tp -59.03 -26.32 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.012 -1.055 . . . . 0.0 110.277 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.84 -18.08 63.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.188 -0.945 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.468 HG23 HD12 ' A' ' 40' ' ' ILE . 32.2 pt -121.96 -21.87 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 110.822 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -62.8 -26.93 68.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 110.523 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.8 mt -56.58 -31.19 63.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.149 -0.969 . . . . 0.0 110.439 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.43 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 2.5 tm? -91.24 -36.37 13.95 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.153 -0.967 . . . . 0.0 108.559 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' C ' ' CD2' ' A' ' 44' ' ' LEU . 4.9 tt -54.08 -38.15 64.99 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.447 -0.783 . . . . 0.0 109.583 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 pt -72.92 -27.75 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.292 -0.88 . . . . 0.0 110.18 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.4 m -58.15 -19.79 35.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 0.0 110.758 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 47' ' ' ILE . 1.9 mp -76.24 -57.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.439 ' CD1' ' C ' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -60.62 -31.8 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.24 -0.912 . . . . 0.0 109.025 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' N ' HG22 ' A' ' 48' ' ' ILE . 97.7 t -73.46 -31.95 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.354 -0.841 . . . . 0.0 109.188 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.2 ttp -59.85 -20.3 56.2 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.476 -0.765 . . . . 0.0 110.66 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.17 12.53 28.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.915 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.018 . . . . 0.0 110.076 179.731 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.901 0.858 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 62.4 t0 -147.57 -44.39 0.17 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.289 0.566 . . . . 0.0 110.088 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -108.84 -21.07 12.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.169 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.01 -26.19 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.927 . . . . 0.0 110.028 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.6 pt20 -78.46 -42.76 28.96 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.192 -0.942 . . . . 0.0 110.825 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 2' ' ' ASP . 43.0 m-85 -68.27 -44.19 76.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.898 -1.126 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' C ' ' CD1' ' A' ' 7' ' ' LEU . 3.1 tm? -59.29 -49.68 76.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.662 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.0 m -65.45 -38.72 90.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 8.3 tpm_? -54.82 -48.59 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 0.0 109.447 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.0 p -73.99 -18.03 60.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.458 -0.776 . . . . 0.0 109.993 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.32 -14.02 56.02 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.255 -0.903 . . . . 0.0 110.812 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' SER . 60.7 mt -124.12 -33.78 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 O-C-N 121.038 -1.039 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 4.7 tmm_? -54.35 -39.79 67.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -75.51 -17.12 60.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.284 -0.885 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.05 10.62 13.09 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.099 -1.0 . . . . 0.0 110.775 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' ILE . 67.7 m -140.11 7.0 2.2 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.097 -1.002 . . . . 0.0 111.811 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -126.42 -25.51 3.46 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.181 -0.949 . . . . 0.0 110.238 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 tp -101.45 -17.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 O-C-N 121.027 -1.045 . . . . 0.0 109.93 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.59 -2.35 7.92 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 49.7 ttm -160.84 63.86 1.9 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.965 . . . . 0.0 109.267 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 20' ' ' MET . 48.6 Cg_endo -83.24 -48.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.828 1.436 . . . . 0.0 110.477 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.09 -48.8 80.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.851 . . . . 0.0 110.348 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.435 ' HB3' ' CG ' ' A' ' 20' ' ' MET . 4.0 tp-100 -69.92 -51.35 33.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.229 -0.92 . . . . 0.0 110.135 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -51.03 -37.36 44.76 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.992 -1.068 . . . . 0.0 109.703 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -60.39 -43.06 97.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.347 -0.845 . . . . 0.0 109.392 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.93 -55.95 10.85 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 110.09 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -56.97 -31.09 64.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.243 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.9 -29.67 70.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.95 -31.68 67.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -60.48 -43.67 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.904 . . . . 0.0 110.635 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.99 -31.67 42.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.952 . . . . 0.0 110.365 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -70.28 -60.77 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.364 -0.835 . . . . 0.0 110.259 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.487 HD13 HG21 ' A' ' 33' ' ' ILE . 67.6 mt -61.77 -32.28 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.202 -0.936 . . . . 0.0 110.178 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.29 -50.99 71.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.664 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.19 -46.62 82.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.416 -0.802 . . . . 0.0 109.399 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.1 -22.53 64.73 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.265 -0.897 . . . . 0.0 110.331 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.433 HD22 ' CB ' ' A' ' 41' ' ' PHE . 6.8 tt -89.98 -45.81 8.94 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.372 -0.83 . . . . 0.0 110.504 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.5 tt -71.24 -19.07 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.258 -0.901 . . . . 0.0 110.739 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -72.07 -19.24 61.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.307 -0.871 . . . . 0.0 111.124 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 41' ' ' PHE . 27.6 pt -131.39 -36.55 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.926 -1.109 . . . . 0.0 111.012 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CB ' HD22 ' A' ' 37' ' ' LEU . 49.1 t80 -55.14 -23.69 22.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.443 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.8 tp -85.11 -62.89 1.43 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.244 -0.91 . . . . 0.0 110.48 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 3.9 pp -61.58 -13.54 22.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.26 -0.9 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.42 ' N ' HD11 ' A' ' 43' ' ' LEU . 53.5 tp -87.04 -57.04 3.12 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 120.953 -1.092 . . . . 0.0 110.915 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.443 HD12 HG21 ' A' ' 45' ' ' ILE . 31.9 pt -53.85 -21.88 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.267 -0.896 . . . . 0.0 110.842 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.3 t -59.19 -33.44 70.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.133 -0.979 . . . . 0.0 110.699 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 47' ' ' ILE . 2.1 mp -82.06 -20.66 10.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.454 HD12 HG21 ' A' ' 48' ' ' ILE . 65.3 mt -90.77 -39.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.235 -0.916 . . . . 0.0 110.461 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.93 -41.63 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.232 -0.918 . . . . 0.0 110.348 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.0 mmm -59.23 -17.45 28.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.08 -1.013 . . . . 0.0 110.655 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.5 mt -97.12 -42.4 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.026 -1.046 . . . . 0.0 110.335 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.248 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.822 0.82 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.02 -41.22 2.55 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.4 0.619 . . . . 0.0 109.655 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -112.77 -29.99 7.22 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.386 -0.821 . . . . 0.0 109.985 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.79 -32.88 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 25.5 pt20 -68.88 -41.27 78.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.914 . . . . 0.0 110.356 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 6.6 t80 -83.81 -36.23 23.66 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.097 -1.002 . . . . 0.0 109.772 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' CD2' ' C ' ' A' ' 7' ' ' LEU . 5.5 tt -55.81 -35.44 66.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 109.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -74.26 -33.14 63.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.096 -1.003 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.74 -35.5 22.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 110.172 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.8 p -63.66 -16.55 61.29 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.472 -0.767 . . . . 0.0 110.054 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.97 -21.69 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.19 -0.944 . . . . 0.0 110.791 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 12' ' ' ILE . 2.6 mp -92.3 -43.36 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.017 -1.052 . . . . 0.0 110.66 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -54.18 -41.22 68.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.044 -1.035 . . . . 0.0 110.125 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -57.52 -19.21 23.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.28 -14.77 21.14 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.156 -0.965 . . . . 0.0 111.111 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -133.88 17.52 3.85 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.995 -1.065 . . . . 0.0 111.081 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.6 m -127.6 -26.84 2.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.141 -0.974 . . . . 0.0 110.567 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.462 HD12 HG21 ' A' ' 18' ' ' ILE . 61.3 mt -97.03 -17.37 6.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 O-C-N 120.987 -1.071 . . . . 0.0 110.62 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -103.22 -31.67 9.99 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 111.16 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.465 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 67.2 mtm -128.78 51.4 7.24 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 20' ' ' MET . 46.1 Cg_endo -73.77 -21.34 18.97 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 O-C-N 123.637 1.336 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 3.6 mm100 -102.65 -32.76 9.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 53.8 tt0 -83.47 -42.73 16.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.078 -1.013 . . . . 0.0 110.256 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -61.94 -44.7 96.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 109.584 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -59.67 -51.47 69.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.329 -0.857 . . . . 0.0 109.784 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.441 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 11.0 mm100 -69.36 -49.89 51.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 20.0 t-20 -49.99 -30.42 10.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.475 -0.766 . . . . 0.0 110.367 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 2.1 tm? -54.47 -35.2 62.78 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.355 -0.841 . . . . 0.0 109.428 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -70.12 -31.31 68.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.0 110.491 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.439 ' HA ' ' CG2' ' A' ' 33' ' ' ILE . 45.2 t30 -59.02 -32.19 69.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 110.5 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.41 -31.34 71.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.206 -0.934 . . . . 0.0 110.273 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.92 -53.02 7.15 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.19 -0.944 . . . . 0.0 110.381 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 30' ' ' ASN . 12.4 tt -63.93 -37.86 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.152 -0.967 . . . . 0.0 109.785 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 43.7 t30 -62.83 -43.46 98.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 110.236 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 47.3 t80 -55.57 -35.64 65.99 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.3 t -69.2 -29.8 67.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.086 -1.009 . . . . 0.0 109.727 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 41' ' ' PHE . 6.6 tt -80.9 -42.6 21.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.419 -0.801 . . . . 0.0 110.149 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 35' ' ' PHE . 8.3 tp -77.22 -15.77 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 110.431 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.99 -14.51 48.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.307 -0.871 . . . . 0.0 110.952 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.533 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -150.1 -34.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.886 -1.134 . . . . 0.0 111.373 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CB ' HD23 ' A' ' 37' ' ' LEU . 48.0 t80 -49.62 -30.83 9.54 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.896 -1.128 . . . . 0.0 110.504 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 3.7 pp -58.18 -18.2 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 2.9 tm? -93.41 -42.77 9.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.106 -0.996 . . . . 0.0 109.473 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.69 -36.73 81.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.665 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 28.6 pt -55.97 -23.34 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.271 -0.893 . . . . 0.0 110.932 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.44 -58.11 3.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.913 -1.117 . . . . 0.0 111.238 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.0 pt -62.0 -21.88 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.12 -0.988 . . . . 0.0 111.671 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 28.7 pt -94.59 -37.05 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.715 -1.241 . . . . 0.0 111.093 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.428 ' N ' HG13 ' A' ' 48' ' ' ILE . 94.6 t -87.59 -11.95 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.0 -1.063 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.8 tpt -81.64 -16.46 51.36 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 120.956 -1.09 . . . . 0.0 110.401 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.78 -8.24 41.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.669 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.198 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.734 0.778 . . . . 0.0 109.748 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 3.0 p30 -117.38 -23.46 7.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 15.0 ptmm? -105.09 -37.32 6.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 98.0 t -50.1 -24.96 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.146 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 9' ' ' ARG . 95.3 mm-40 -76.5 -52.21 10.24 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 110.333 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 9.8 m-30 -60.87 -48.08 83.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.143 -0.973 . . . . 0.0 110.788 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 4.4 mm? -59.11 -48.64 80.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.13 -0.981 . . . . 0.0 109.951 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -67.75 -57.28 6.61 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.281 -0.887 . . . . 0.0 109.742 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 5' ' ' GLN . 47.2 mmt-85 -52.92 -38.5 61.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 109.944 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 93.3 p -71.1 -23.4 62.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.261 -0.899 . . . . 0.0 109.598 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 -33.56 51.69 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.329 -0.857 . . . . 0.0 110.526 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.0 tp -95.65 -22.8 5.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.157 -0.964 . . . . 0.0 110.335 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' CD ' ' OG1' ' A' ' 17' ' ' THR . 14.2 tpp85 -60.49 -24.11 65.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.213 -0.929 . . . . 0.0 109.881 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 83.6 mtm180 -63.84 -24.03 67.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.366 -0.834 . . . . 0.0 110.113 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.33 -38.01 7.82 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.183 -0.948 . . . . 0.0 110.124 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -73.89 -2.73 25.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -127.05 -2.79 6.43 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.998 -1.064 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 47.9 mm -115.17 -15.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 O-C-N 121.011 -1.056 . . . . 0.0 109.761 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.27 -31.73 12.77 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.25 -0.906 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 80.3 mtp -135.56 51.2 5.25 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.812 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 20' ' ' MET . 45.2 Cg_endo -72.71 -39.52 2.49 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 O-C-N 123.722 1.38 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -73.94 -50.25 20.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 110.533 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -63.09 -52.8 61.26 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.079 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -53.67 -37.7 63.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.965 . . . . 0.0 109.783 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -63.56 -47.88 79.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.939 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -65.35 -54.74 24.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.351 -0.843 . . . . 0.0 110.253 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.38 -36.1 31.16 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.469 -0.769 . . . . 0.0 110.269 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.63 -31.67 37.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.182 -0.948 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 29' ' ' GLN . 10.5 mm100 -71.17 -15.45 62.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 110.72 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -48.36 16.75 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.057 -1.027 . . . . 0.0 110.735 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -51.88 -29.91 21.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 32' ' ' PHE . 6.1 t80 -62.07 -41.37 98.09 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.303 -0.873 . . . . 0.0 110.053 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.532 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 2.3 mp -83.58 -50.22 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' O ' ' CG2' ' A' ' 38' ' ' ILE . 0.7 OUTLIER -52.86 -34.9 56.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.761 179.531 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CE1' ' CD1' ' A' ' 39' ' ' LEU . 5.7 t80 -65.13 -41.94 94.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 110.011 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -81.51 -6.92 59.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.218 -0.927 . . . . 0.0 110.762 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 2.9 tm? -107.26 -32.71 7.67 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.02 -1.05 . . . . 0.0 109.332 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' A' ' 34' ' ' ASN . 8.5 tp -72.84 -37.1 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 110.232 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 90.3 mt -68.53 -23.11 64.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.968 . . . . 0.0 110.813 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 2.1 mp -96.7 -34.54 5.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.041 -1.037 . . . . 0.0 110.34 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.67 -45.4 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 110.641 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 4.0 pp -61.37 -15.74 39.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 110.99 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 5.5 tt -92.47 -37.42 12.54 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.07 -1.019 . . . . 0.0 109.681 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.36 -46.12 67.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 110.724 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 31.2 pt -58.44 -27.24 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.819 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.0 t -77.38 -28.56 52.87 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.119 -0.988 . . . . 0.0 111.056 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 pt -96.9 3.9 9.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.05 -1.031 . . . . 0.0 111.391 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 31.8 pt -117.59 -26.0 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.841 -1.162 . . . . 0.0 110.179 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.9 t -91.31 -29.66 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 110.182 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ptm -64.93 -17.57 64.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.12 -0.988 . . . . 0.0 110.213 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 2.6 pp -121.96 19.37 10.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 110.45 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 C--N 1.304 -1.398 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.008 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.462 0.648 . . . . 0.0 110.204 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -119.65 -8.99 9.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.892 -1.13 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -112.42 -31.78 6.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 0.0 110.628 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.06 -22.44 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.155 -0.966 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -81.57 -67.11 0.81 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.189 -0.944 . . . . 0.0 110.644 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 9.8 m-30 -53.96 -31.86 51.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.255 -0.903 . . . . 0.0 110.704 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' ALA . 57.2 tp -71.72 -56.6 5.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -58.01 -43.08 86.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.293 -0.879 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.65 -23.6 4.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.21 -0.931 . . . . 0.0 110.443 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -121.87 -8.86 8.86 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.316 -0.865 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -95.32 -13.04 25.12 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.005 -1.059 . . . . 0.0 110.843 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.461 HG22 HD12 ' A' ' 12' ' ' ILE . 46.1 mm -130.38 -33.8 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 121.015 -1.053 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.44 -57.11 10.18 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.883 -1.136 . . . . 0.0 109.827 -179.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -85.15 9.94 13.57 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.127 -0.983 . . . . 0.0 110.64 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.89 -14.76 8.0 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 121.094 -1.004 . . . . 0.0 110.757 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -131.92 0.29 3.86 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.976 -1.077 . . . . 0.0 111.79 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 86.4 m -125.7 1.55 7.49 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.175 -0.953 . . . . 0.0 110.015 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.422 ' CD1' ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.73 -27.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 108.767 179.085 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 19' ' ' GLU . 44.4 tp10 -103.46 -31.05 10.17 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.19 -0.944 . . . . 0.0 110.473 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -132.82 59.57 43.89 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.304 -0.873 . . . . 0.0 110.439 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.4 -34.17 6.19 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.699 1.368 . . . . 0.0 110.209 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.24 -38.78 30.32 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -74.27 -51.55 14.96 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.266 -0.896 . . . . 0.0 109.906 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.96 -43.02 60.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -68.16 -28.99 67.77 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.373 -0.829 . . . . 0.0 108.941 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 4.3 tp-100 -75.9 -61.79 1.81 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.665 -0.647 . . . . 0.0 109.796 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -50.11 -30.13 10.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.521 -0.737 . . . . 0.0 110.617 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.04 -25.39 2.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.884 . . . . 0.0 110.706 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 25.7 pt20 -56.21 -21.34 22.59 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.214 -0.929 . . . . 0.0 110.492 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -54.45 -39.19 67.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.485 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 35' ' ' PHE . 58.9 tp -55.23 -32.16 62.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -59.2 2.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.249 -0.907 . . . . 0.0 110.283 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 33' ' ' ILE . 10.9 tt -56.86 -23.04 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.22 -0.925 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -74.72 -62.6 1.48 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.218 -0.927 . . . . 0.0 110.344 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CZ ' ' CD1' ' A' ' 31' ' ' LEU . 13.1 m-30 -56.95 -18.75 14.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.869 . . . . 0.0 110.761 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.53 -40.74 20.58 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.977 -1.077 . . . . 0.0 110.606 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.8 mt -84.42 -35.42 23.09 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 110.875 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.8 mm -68.0 -34.05 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.765 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.43 ' CD1' ' O ' ' A' ' 35' ' ' PHE . 93.3 mt -78.04 -18.86 55.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 110.777 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.9 mt -105.5 -33.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.104 -0.997 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.56 -40.05 86.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.204 -0.935 . . . . 0.0 110.471 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.24 -43.79 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 109.799 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -74.23 -31.63 62.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.279 -0.888 . . . . 0.0 109.961 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' CD1' ' C ' ' A' ' 44' ' ' LEU . 2.7 tm? -63.62 -54.1 41.11 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.259 -0.9 . . . . 0.0 110.212 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 45' ' ' ILE . 29.7 pt -60.11 -22.88 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.127 -0.983 . . . . 0.0 110.731 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.16 -39.51 75.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.721 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.1 mt -59.32 -22.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.154 -0.966 . . . . 0.0 110.654 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.2 mt -92.02 -29.56 4.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.282 -0.886 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.3 t -73.11 -39.28 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.28 -0.888 . . . . 0.0 110.31 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.9 mtp -62.24 -20.1 63.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 110.492 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 51' ' ' LEU . 6.7 mp -110.46 -57.9 2.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.068 -1.02 . . . . 0.0 110.292 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 52' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.124 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptp . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.838 0.828 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 2.7 p30 -167.39 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.616 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.4 ptpt -113.84 -25.47 8.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.871 -1.143 . . . . 0.0 110.305 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 5' ' ' GLN . 35.6 m -72.04 -23.61 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.146 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.455 ' N ' HG22 ' A' ' 4' ' ' VAL . 98.1 mm-40 -77.95 -58.4 3.28 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.232 -0.918 . . . . 0.0 110.022 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -59.26 -33.25 70.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.196 -0.94 . . . . 0.0 110.065 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.83 -52.66 62.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 110.167 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -68.47 -25.58 65.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.227 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -48.46 -33.56 9.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.36 -0.837 . . . . 0.0 110.01 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -64.21 -28.17 69.56 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.502 -0.749 . . . . 0.0 109.601 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.63 -31.72 32.28 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.276 -0.89 . . . . 0.0 109.852 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -71.08 -50.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -61.77 -21.02 64.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 0.0 110.393 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 tpt85 -63.8 -22.57 66.98 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.16 -0.963 . . . . 0.0 109.728 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.16 -24.58 6.93 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.327 -0.858 . . . . 0.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 t -95.84 23.66 6.11 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.182 -0.949 . . . . 0.0 110.925 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.3 m -127.77 -11.78 5.46 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.114 -0.991 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.04 -28.87 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.035 -1.041 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -116.61 -18.67 10.27 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.306 -0.871 . . . . 0.0 110.41 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.503 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.1 tpt -63.22 -43.79 81.61 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.943 . . . . 0.0 111.232 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 20' ' ' MET . 45.3 Cg_endo -74.78 -49.28 0.16 Allowed 'Trans proline' 0 C--N 1.319 -1.01 0 O-C-N 122.877 0.935 . . . . 0.0 110.147 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -57.16 -32.11 66.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 109.652 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.42 -42.08 17.38 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.404 -0.81 . . . . 0.0 109.914 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.49 -41.04 63.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.09 -50.31 73.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.458 -0.777 . . . . 0.0 109.291 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.07 -53.9 11.46 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.446 -0.784 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -54.58 -20.47 8.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.497 -0.752 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' C ' ' CD2' ' A' ' 28' ' ' LEU . 5.6 tt -50.59 -32.79 19.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -0.988 . . . . 0.0 109.761 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' ASN . 19.2 pt20 -54.06 -37.09 63.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.109 -0.995 . . . . 0.0 109.505 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 74.9 m-20 -78.28 -39.67 39.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.45 -0.781 . . . . 0.0 110.255 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -53.27 -33.89 55.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 109.752 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -58.52 -61.43 2.6 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.42 -0.8 . . . . 0.0 109.799 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -68.15 -37.13 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.402 -0.811 . . . . 0.0 109.942 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -55.3 -45.14 76.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.148 -0.97 . . . . 0.0 109.331 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.42 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 5.8 t80 -62.97 -28.85 70.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.451 -0.781 . . . . 0.0 109.091 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.7 m -96.31 1.94 52.38 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.462 -0.774 . . . . 0.0 110.536 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 50.9 tp -118.42 -12.08 9.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.088 -1.007 . . . . 0.0 110.939 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.403 ' HA ' HD23 ' A' ' 42' ' ' LEU . 50.7 mm -114.24 -20.86 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.919 -1.113 . . . . 0.0 110.07 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.2 pt? -55.63 -17.18 5.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.348 -0.845 . . . . 0.0 111.181 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.4 tt -167.04 -31.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.747 -1.22 . . . . 0.0 112.706 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 58.4 m-85 -58.83 -18.16 30.04 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.616 -1.302 . . . . 0.0 111.428 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 4.3 mm? -93.49 -18.23 22.52 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.823 -1.173 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 57.8 tp -90.74 -50.37 5.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.265 -0.897 . . . . 0.0 109.939 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' A' ' 44' ' ' LEU . 4.6 tt -56.46 -41.56 76.72 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.261 -0.9 . . . . 0.0 110.054 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.473 HD13 HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -54.48 -27.61 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.155 -0.966 . . . . 0.0 110.032 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.481 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 41.9 t -75.89 -14.18 60.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.047 -1.033 . . . . 0.0 111.266 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.517 ' CD1' ' N ' ' A' ' 47' ' ' ILE . 1.8 mp -77.68 -27.1 15.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.93 -1.107 . . . . 0.0 110.031 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 45' ' ' ILE . 40.6 pt -93.31 -25.45 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 19.3 m -73.71 -35.46 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.031 -1.043 . . . . 0.0 109.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mmm -73.07 -16.04 61.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.442 -0.786 . . . . 0.0 110.963 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -122.88 -48.23 2.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 110.692 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' ILE . 84.1 mt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.435 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 tpp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.085 0.469 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.27 -0.57 12.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.874 -1.141 . . . . 0.0 110.389 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -113.3 -30.36 6.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.91 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 p -83.19 -13.66 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 0.0 110.108 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -80.36 -69.57 0.58 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.227 -0.92 . . . . 0.0 110.193 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 9.9 m-30 -58.56 -35.12 71.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.28 -45.04 80.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.1 m -70.05 -34.07 72.76 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.35 -0.844 . . . . 0.0 110.426 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -51.21 -40.82 59.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.114 -0.991 . . . . 0.0 109.969 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -64.76 -20.69 66.5 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.385 -0.822 . . . . 0.0 109.502 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.08 -21.75 36.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.241 -0.912 . . . . 0.0 110.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.57 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.329 -0.857 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 11.2 tpt180 -53.71 -39.95 65.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.751 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 50.4 ttt-85 -53.43 -29.83 37.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 110.676 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.24 -34.66 9.15 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.171 -0.955 . . . . 0.0 111.199 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 82.8 p -76.45 -0.18 22.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.035 -1.041 . . . . 0.0 111.121 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.8 m -125.1 14.01 8.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 109.814 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 46.9 mm -123.68 -24.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.371 -0.83 . . . . 0.0 110.24 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 19' ' ' GLU . 44.2 tp10 -118.54 -13.29 9.7 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.09 -1.006 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.515 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 57.2 ttp -56.98 -43.35 99.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 0.0 111.9 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 20' ' ' MET . 43.1 Cg_endo -72.81 -39.83 2.23 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 122.847 0.92 . . . . 0.0 110.589 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 3.5 mm100 -69.05 -33.99 74.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.1 tp-100 -83.28 -41.81 17.89 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.294 -0.878 . . . . 0.0 110.029 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.3 65.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 109.4 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.41 -43.11 79.02 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.414 -0.804 . . . . 0.0 109.327 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 26' ' ' GLN . 3.7 mm100 -72.32 -49.94 30.72 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.589 -0.695 . . . . 0.0 109.803 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -61.82 -19.07 62.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.551 -0.718 . . . . 0.0 110.439 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.29 -39.51 67.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.117 -0.99 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.76 -37.31 87.16 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.275 -0.891 . . . . 0.0 110.022 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.88 -33.96 72.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.363 -0.836 . . . . 0.0 110.134 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.47 -27.27 65.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.386 -0.821 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -81.83 -33.15 30.85 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.191 -0.943 . . . . 0.0 110.384 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.0 mt -79.66 -42.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.216 -0.927 . . . . 0.0 110.43 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -63.94 -48.26 77.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.855 . . . . 0.0 110.462 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -48.89 79.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 109.758 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.14 -25.99 62.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.007 -1.058 . . . . 0.0 109.691 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' CD2' ' C ' ' A' ' 37' ' ' LEU . 6.4 tt -80.8 -52.6 7.33 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.459 -0.776 . . . . 0.0 109.805 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 tp -69.61 -14.54 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.22 -0.925 . . . . 0.0 110.773 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 tp -71.62 -24.89 61.96 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.184 -0.947 . . . . 0.0 111.563 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 41' ' ' PHE . 26.2 pt -128.97 -38.41 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.741 -1.224 . . . . 0.0 111.104 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.44 ' N ' HG13 ' A' ' 40' ' ' ILE . 42.6 m-85 -66.08 -14.93 62.58 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 110.498 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 43' ' ' LEU . 2.7 pt? -55.93 -34.15 65.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.943 -1.098 . . . . 0.0 109.683 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 61.5 tp -78.78 -26.9 44.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.059 -1.025 . . . . 0.0 110.207 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.7 mm? -75.29 -44.75 43.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.453 -0.78 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 pt -65.81 -22.82 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.111 -0.993 . . . . 0.0 110.089 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.11 -52.44 7.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 111.562 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 47' ' ' ILE . 33.7 pt -55.1 -22.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.876 -1.14 . . . . 0.0 110.97 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.6 pt -92.23 -31.81 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.044 -1.035 . . . . 0.0 110.5 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.3 t -91.64 -38.92 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 110.225 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mmt -63.58 -24.28 67.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 110.347 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.4 mt -97.29 -7.22 32.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.362 -0.836 . . . . 0.0 110.567 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.088 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' HG3' ' CG2' ' A' ' 4' ' ' VAL . 51.9 ttp . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.539 0.685 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 12.0 p-10 -169.36 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 109.914 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' NZ ' HD11 ' A' ' 7' ' ' LEU . 57.0 tttm -86.34 -35.59 19.75 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.401 -0.812 . . . . 0.0 110.327 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.431 ' CG2' ' HG3' ' A' ' 1' ' ' MET . 27.8 m -64.44 -24.29 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' NE2' ' HE2' ' A' ' 1' ' ' MET . 85.3 mt-30 -72.5 -53.93 10.67 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.413 -0.804 . . . . 0.0 110.305 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 2' ' ' ASP . 42.7 m-85 -58.58 -47.92 82.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.079 -1.013 . . . . 0.0 110.083 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD11 ' NZ ' ' A' ' 3' ' ' LYS . 93.3 mt -56.62 -42.01 78.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.143 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -64.37 -55.35 21.74 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.941 . . . . 0.0 109.874 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 41.2 ttm-85 -51.94 -34.56 42.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.279 -0.888 . . . . 0.0 109.877 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -76.13 -16.15 59.94 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.893 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.33 -40.96 8.87 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 121.302 -0.874 . . . . 0.0 109.984 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.4 tp -63.69 -38.2 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.298 -0.876 . . . . 0.0 110.215 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 20.3 mmt85 -64.79 -23.35 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.054 -1.028 . . . . 0.0 110.215 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.2 mmt-85 -77.03 -17.85 58.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 110.493 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.16 0.96 16.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.144 -0.972 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.0 p -123.73 -6.0 8.03 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.025 -1.047 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.2 m -125.57 -14.99 6.2 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.331 -0.856 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.539 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 2.5 mp -107.71 -10.5 10.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.17 -0.956 . . . . 0.0 109.704 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -118.79 -31.43 4.81 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.019 -1.051 . . . . 0.0 110.462 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.42 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 83.3 mtp -141.12 65.82 23.36 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.224 -0.923 . . . . 0.0 110.389 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -87.01 -80.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.669 1.352 . . . . 0.0 111.013 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.2 pt20 -56.73 -24.67 51.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 111.029 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -82.4 -62.07 1.72 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.91 -1.119 . . . . 0.0 110.345 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -50.38 -39.49 46.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.955 -1.09 . . . . 0.0 110.224 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.97 -55.59 18.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.214 -0.929 . . . . 0.0 110.119 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 13.4 mm100 -64.86 -50.82 65.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.337 -0.852 . . . . 0.0 110.291 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -55.15 -35.0 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.479 -0.763 . . . . 0.0 111.164 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' A' ' 28' ' ' LEU . 5.7 tt -56.08 -33.95 65.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.817 -1.177 . . . . 0.0 109.785 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.54 -37.63 22.76 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.245 -0.91 . . . . 0.0 110.226 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -53.42 -33.32 53.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.0 110.194 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.528 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 57.8 tp -58.37 -32.13 68.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.278 -0.889 . . . . 0.0 110.083 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -78.55 -40.55 34.57 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.365 -0.834 . . . . 0.0 110.949 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.532 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 2.1 mp -81.12 -45.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.033 -1.042 . . . . 0.0 109.928 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -53.01 -37.37 61.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.254 -0.904 . . . . 0.0 109.96 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.528 ' CE1' ' CD1' ' A' ' 31' ' ' LEU . 10.0 m-85 -84.14 -21.3 31.42 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.343 -0.848 . . . . 0.0 109.695 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.3 -37.52 37.54 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.774 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 tp -72.52 -51.53 19.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.375 -0.828 . . . . 0.0 110.182 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 tp -56.57 -39.6 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.338 -0.851 . . . . 0.0 110.012 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 39' ' ' LEU . 4.9 tt -59.0 -52.65 64.86 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.296 -0.877 . . . . 0.0 109.452 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.49 -44.02 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' HD11 ' A' ' 45' ' ' ILE . 48.5 t80 -53.4 -48.85 68.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.793 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 46' ' ' CYS . 4.8 tt -54.55 -41.57 69.92 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.309 -0.869 . . . . 0.0 109.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.97 -51.53 69.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.265 -0.897 . . . . 0.0 111.487 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 4.1 mm? -65.47 -49.24 69.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 111.303 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 1.8 mp -72.41 -1.96 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 111.251 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 40.9 t -93.82 -28.77 15.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.706 -1.246 . . . . 0.0 110.676 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.06 -13.98 17.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.156 -0.965 . . . . 0.0 110.868 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 49' ' ' VAL . 8.6 tp -99.03 -36.56 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.095 -1.003 . . . . 0.0 110.684 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.441 ' N ' HG23 ' A' ' 48' ' ' ILE . 14.3 p -75.58 -30.67 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.129 -0.982 . . . . 0.0 110.514 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 mmt -74.66 -2.33 25.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -106.8 12.5 28.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 110.661 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.019 -1.051 . . . . 0.0 110.147 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.93 0.871 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.57 -39.8 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.286 0.565 . . . . 0.0 109.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 64.4 pttt -110.3 -35.42 6.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.894 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 8.1 p -64.59 -12.68 13.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.79 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 3.0 pt20 -75.2 -45.89 37.57 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.053 -1.029 . . . . 0.0 111.179 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 11.3 p90 -87.11 -34.12 19.22 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.705 -1.247 . . . . 0.0 109.207 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.54 ' HG ' ' CE1' ' A' ' 6' ' ' TYR . 83.2 mt -57.94 -40.59 80.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.035 -1.041 . . . . 0.0 109.61 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -70.53 -41.63 72.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.175 -0.953 . . . . 0.0 110.185 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.69 -42.34 64.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.048 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.49 -8.78 58.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.437 -0.79 . . . . 0.0 110.507 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.707 ' C ' HD12 ' A' ' 12' ' ' ILE . . . -78.36 -30.98 48.28 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.976 -1.077 . . . . 0.0 110.986 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.758 ' N ' HD12 ' A' ' 12' ' ' ILE . 2.4 mp -112.92 -39.5 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 120.966 -1.084 . . . . 0.0 110.799 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 17' ' ' THR . 18.6 mmt85 -65.24 -45.67 83.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 110.48 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 2.3 mtp-105 -91.38 27.21 2.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.072 -1.018 . . . . 0.0 110.35 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.7 -40.04 0.23 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.312 -0.867 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -97.5 1.56 49.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.282 -0.886 . . . . 0.0 111.709 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 88.2 m -124.73 -12.27 7.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.121 -0.987 . . . . 0.0 110.562 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.741 HG23 ' HG2' ' A' ' 19' ' ' GLU . 7.4 tp -110.3 -19.62 6.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.023 -1.048 . . . . 0.0 109.862 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.741 ' HG2' HG23 ' A' ' 18' ' ' ILE . 67.6 mm-40 -103.03 -20.03 14.35 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.112 -0.993 . . . . 0.0 110.465 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 24.6 ptm -144.27 55.37 3.33 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 110.436 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 20' ' ' MET . 44.1 Cg_endo -71.36 -29.14 17.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.661 1.348 . . . . 0.0 109.992 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 85.3 mt-30 -86.05 -32.7 21.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 110.047 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.3 tp-100 -82.21 -48.1 11.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.269 -0.894 . . . . 0.0 109.876 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.83 66.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.359 -0.838 . . . . 0.0 110.002 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.57 -45.16 89.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 109.988 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 97.2 mm-40 -69.51 -45.07 69.77 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.321 -0.862 . . . . 0.0 110.022 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.66 -41.86 87.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.436 -0.79 . . . . 0.0 110.646 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 tp -51.39 -25.08 5.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.231 -0.918 . . . . 0.0 110.353 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.66 -29.1 51.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 33' ' ' ILE . 49.6 m-20 -59.78 -30.57 68.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 110.601 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.7 -29.01 70.29 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.093 -1.004 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -73.74 -53.07 11.17 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.4 -0.813 . . . . 0.0 110.91 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.785 HD13 ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.65 -37.43 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.115 -0.99 . . . . 0.0 110.169 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . 53.0 t-20 -63.6 -54.6 33.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.953 -1.092 . . . . 0.0 109.99 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 47.5 t80 -59.42 -46.11 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.0 110.157 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.84 -39.75 82.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.11 -0.994 . . . . 0.0 109.618 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 41' ' ' PHE . 2.5 tm? -63.48 -55.18 26.16 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.424 -0.798 . . . . 0.0 109.123 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.1 tp -67.91 -23.49 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.67 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.3 tp -79.75 -32.6 41.06 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.257 -0.902 . . . . 0.0 111.581 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 40' ' ' ILE . 62.0 mt -96.31 -28.15 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.901 -1.124 . . . . 0.0 111.727 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.653 ' CE1' HD22 ' A' ' 37' ' ' LEU . 9.8 m-85 -82.4 -24.67 34.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 111.029 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -59.8 -21.25 60.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.821 -1.174 . . . . 0.0 109.829 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.88 ' N ' HD12 ' A' ' 42' ' ' LEU . 62.4 tp -88.73 -37.76 15.24 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.288 -0.882 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.19 -45.29 85.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.868 . . . . 0.0 110.935 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 pt -55.18 -20.72 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.692 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 50' ' ' MET . 53.6 t -82.36 -26.55 32.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 110.859 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.93 -40.93 88.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.184 -0.948 . . . . 0.0 111.287 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 49' ' ' VAL . 28.7 pt -79.06 -34.97 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.023 -1.048 . . . . 0.0 111.06 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.423 ' N ' HG13 ' A' ' 48' ' ' ILE . 64.6 t -72.62 -31.46 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.152 -0.968 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 46' ' ' CYS . 26.3 mmt -83.45 -1.96 54.77 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.078 -1.014 . . . . 0.0 111.254 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.88 -38.69 2.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.011 -1.055 . . . . 0.0 110.337 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.141 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.412 ' O ' ' HG3' ' A' ' 1' ' ' MET . 47.2 tpp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.15 0.5 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -117.37 -6.42 11.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.957 -1.089 . . . . 0.0 110.661 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -103.51 -34.22 8.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.093 -1.004 . . . . 0.0 109.911 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.15 -49.93 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.4 pt20 -54.71 -34.35 62.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.113 -0.992 . . . . 0.0 109.658 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.442 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -72.2 -57.88 3.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 0.0 109.744 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -56.81 -32.91 66.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.433 -0.792 . . . . 0.0 110.185 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.4 m -70.27 -48.4 56.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.697 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -49.88 -33.24 16.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.16 -0.962 . . . . 0.0 109.937 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -78.66 -24.51 45.1 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.55 -0.719 . . . . 0.0 109.725 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.97 -50.01 9.63 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.423 -0.798 . . . . 0.0 110.168 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 13' ' ' ARG . 6.9 tp -58.92 -37.46 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 12' ' ' ILE . 45.7 ttm-85 -53.05 -23.01 6.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.436 -0.79 . . . . 0.0 109.761 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 4.9 mtp-105 -61.51 -41.06 96.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.913 . . . . 0.0 109.481 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.34 -19.74 13.6 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -89.89 19.56 4.75 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.226 -0.921 . . . . 0.0 110.74 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.415 ' OG1' ' HG3' ' A' ' 13' ' ' ARG . 96.2 m -127.17 -15.99 5.12 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.231 -0.918 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.417 ' H ' HG22 ' A' ' 18' ' ' ILE . 7.3 tp -94.32 -19.33 6.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 120.895 -1.128 . . . . 0.0 109.593 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 23' ' ' GLN . 16.3 pt-20 -122.72 10.84 9.69 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.297 -0.877 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.539 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 49.1 ttm -55.27 -43.72 99.25 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 0.0 112.043 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 20' ' ' MET . 42.9 Cg_endo -72.09 -34.78 7.8 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 122.894 0.944 . . . . 0.0 110.943 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 85.4 mt-30 -91.11 -8.37 49.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 110.681 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.1 tp-100 -100.08 -41.57 7.09 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.124 -0.985 . . . . 0.0 109.845 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.31 82.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.24 -0.912 . . . . 0.0 109.353 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 3.5 ttm105 -55.67 -33.49 64.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 12.4 mm100 -75.8 -54.87 6.26 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.578 -0.701 . . . . 0.0 109.554 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.74 -34.73 73.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.466 -0.771 . . . . 0.0 110.663 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.01 -28.13 9.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 110.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -70.73 -58.1 3.99 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.397 -0.814 . . . . 0.0 110.209 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' HA ' HG22 ' A' ' 33' ' ' ILE . 5.3 m120 -54.65 -33.42 60.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -0.892 . . . . 0.0 110.22 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.65 -33.29 66.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.25 -0.906 . . . . 0.0 110.031 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -73.75 -63.97 1.1 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.26 -41.66 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.354 -0.842 . . . . 0.0 109.795 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.596 ' OD1' HD13 ' A' ' 38' ' ' ILE . 21.7 t-20 -63.83 -51.23 65.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.284 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 49.0 t80 -49.86 -24.42 2.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.206 -0.934 . . . . 0.0 110.566 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -94.33 -13.91 25.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 0.0 110.809 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 tp -91.06 -40.11 11.81 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.702 HD12 ' N ' ' A' ' 38' ' ' ILE . 2.1 mp -78.34 -43.42 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.02 . . . . 0.0 109.531 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.734 ' O ' HD23 ' A' ' 39' ' ' LEU . 5.1 tt -50.94 -41.22 58.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 0.0 109.668 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 41' ' ' PHE . 28.0 pt -84.59 -38.06 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.374 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.462 ' N ' HG13 ' A' ' 40' ' ' ILE . 49.4 t80 -51.88 -38.31 55.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 110.16 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 85.3 mt -63.04 -17.31 62.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 110.74 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.26 -36.78 16.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.119 -0.988 . . . . 0.0 110.846 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.666 ' N ' HD22 ' A' ' 44' ' ' LEU . 3.8 mm? -75.63 -43.4 48.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.091 -1.006 . . . . 0.0 110.962 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.4 pt -54.5 -23.51 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.011 -1.055 . . . . 0.0 110.157 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 50' ' ' MET . 52.6 t -78.68 -27.69 45.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.268 -0.895 . . . . 0.0 110.311 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.99 -45.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.295 -0.878 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 49' ' ' VAL . 32.8 pt -74.61 -34.67 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.3 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 45' ' ' ILE . 66.0 t -65.78 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.914 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 46' ' ' CYS . 93.0 mmm -80.71 -10.6 59.72 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.334 -0.854 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.93 -32.4 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.025 -1.047 . . . . 0.0 110.41 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.207 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.774 0.797 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 40.7 p-10 -168.52 -32.56 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.418 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.6 ptpt -112.17 -15.91 13.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.908 -1.12 . . . . 0.0 111.086 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.587 HG13 ' HG2' ' A' ' 5' ' ' GLN . 8.4 p -97.78 -24.41 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.587 ' HG2' HG13 ' A' ' 4' ' ' VAL . 30.9 mm100 -90.93 -58.62 2.41 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.956 -1.09 . . . . 0.0 110.503 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -21.19 66.42 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.17 -0.956 . . . . 0.0 110.57 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 62.7 tp -74.71 -58.62 3.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -55.73 -32.62 63.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 0.0 109.916 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 56.8 ttp180 -52.61 -36.36 56.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.339 -0.851 . . . . 0.0 110.011 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -81.26 -17.12 50.52 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.177 -0.952 . . . . 0.0 110.189 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.69 -36.62 12.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.18 -0.95 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.526 HG23 ' N ' ' A' ' 13' ' ' ARG . 8.3 tp -72.84 -42.1 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.212 -0.93 . . . . 0.0 110.069 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -67.15 -42.35 84.52 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -57.29 -28.77 63.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.332 -0.855 . . . . 0.0 109.908 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.657 ' HA ' HG22 ' A' ' 18' ' ' ILE . . . -98.83 -35.32 10.16 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 79.0 p -75.03 -2.43 27.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.954 -1.092 . . . . 0.0 110.818 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 17' ' ' THR . 96.9 m -124.53 2.33 8.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.07 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.907 HD13 ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -113.99 -29.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.743 ' HG3' HG23 ' A' ' 18' ' ' ILE . 55.2 mt-10 -99.75 -25.87 14.23 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.12 -0.987 . . . . 0.0 110.187 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.544 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 48.3 ttm -139.82 63.87 26.9 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 0.0 109.956 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -81.58 -61.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.685 1.36 . . . . 0.0 110.978 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -57.11 -38.42 73.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 20' ' ' MET . 53.5 tt0 -76.0 -47.36 25.19 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.141 -0.974 . . . . 0.0 110.267 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 20' ' ' MET . . . -52.83 -41.41 64.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 109.379 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.04 -35.59 67.07 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.468 -0.77 . . . . 0.0 109.457 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.41 -51.1 9.83 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.566 -0.709 . . . . 0.0 109.946 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.65 -27.12 67.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.482 -0.761 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.854 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -54.12 -32.86 56.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -58.61 -43.45 89.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.925 . . . . 0.0 110.443 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.477 ' HA ' HG22 ' A' ' 33' ' ' ILE . 43.9 t30 -67.59 -44.92 76.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.975 . . . . 0.0 110.738 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.8 tp -52.84 -31.95 41.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.022 -1.049 . . . . 0.0 110.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -63.55 1.23 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.366 -0.834 . . . . 0.0 109.976 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 30' ' ' ASN . 7.6 tp -53.93 -35.28 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.84 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.6 ' O ' HG22 ' A' ' 38' ' ' ILE . 45.3 t30 -70.13 -52.2 25.47 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.248 -0.907 . . . . 0.0 110.285 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 49.0 t80 -61.88 -31.64 71.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 110.533 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.43 -46.13 74.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 110.747 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -74.1 -47.8 33.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 34' ' ' ASN . 7.6 tp -59.03 -26.32 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.012 -1.055 . . . . 0.0 110.277 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.84 -18.08 63.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.188 -0.945 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 pt -121.96 -21.87 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 110.822 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 45' ' ' ILE . 45.7 t80 -62.8 -26.93 68.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 110.523 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 45' ' ' ILE . 89.8 mt -56.58 -31.19 63.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.149 -0.969 . . . . 0.0 110.439 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 43' ' ' LEU . 2.5 tm? -91.24 -36.37 13.95 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.153 -0.967 . . . . 0.0 108.559 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 44' ' ' LEU . 4.9 tt -54.08 -38.15 64.99 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.447 -0.783 . . . . 0.0 109.583 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 49' ' ' VAL . 33.5 pt -72.92 -27.75 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.292 -0.88 . . . . 0.0 110.18 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' MET . 74.4 m -58.15 -19.79 35.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 0.0 110.758 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 47' ' ' ILE . 1.9 mp -76.24 -57.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.87 ' O ' HD13 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -60.62 -31.8 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.24 -0.912 . . . . 0.0 109.025 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 45' ' ' ILE . 97.7 t -73.46 -31.95 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.354 -0.841 . . . . 0.0 109.188 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 49.2 ttp -59.85 -20.3 56.2 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.476 -0.765 . . . . 0.0 110.66 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.17 12.53 28.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.915 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.018 . . . . 0.0 110.076 179.731 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.901 0.858 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 62.4 t0 -147.57 -44.39 0.17 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.289 0.566 . . . . 0.0 110.088 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -108.84 -21.07 12.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.169 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.01 -26.19 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.927 . . . . 0.0 110.028 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.6 pt20 -78.46 -42.76 28.96 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.192 -0.942 . . . . 0.0 110.825 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.473 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 43.0 m-85 -68.27 -44.19 76.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.898 -1.126 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.671 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.1 tm? -59.29 -49.68 76.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.662 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.0 m -65.45 -38.72 90.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 8.3 tpm_? -54.82 -48.59 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 0.0 109.447 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.0 p -73.99 -18.03 60.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.458 -0.776 . . . . 0.0 109.993 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.32 -14.02 56.02 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.255 -0.903 . . . . 0.0 110.812 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' SER . 60.7 mt -124.12 -33.78 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 O-C-N 121.038 -1.039 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 13' ' ' ARG . 4.7 tmm_? -54.35 -39.79 67.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -75.51 -17.12 60.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.284 -0.885 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.05 10.62 13.09 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.099 -1.0 . . . . 0.0 110.775 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' ILE . 67.7 m -140.11 7.0 2.2 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.097 -1.002 . . . . 0.0 111.811 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -126.42 -25.51 3.46 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.181 -0.949 . . . . 0.0 110.238 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 tp -101.45 -17.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 O-C-N 121.027 -1.045 . . . . 0.0 109.93 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.59 -2.35 7.92 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 49.7 ttm -160.84 63.86 1.9 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.965 . . . . 0.0 109.267 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 20' ' ' MET . 48.6 Cg_endo -83.24 -48.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.828 1.436 . . . . 0.0 110.477 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 84.9 mt-30 -60.09 -48.8 80.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.851 . . . . 0.0 110.348 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.459 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.0 tp-100 -69.92 -51.35 33.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.229 -0.92 . . . . 0.0 110.135 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -51.03 -37.36 44.76 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.992 -1.068 . . . . 0.0 109.703 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -60.39 -43.06 97.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.347 -0.845 . . . . 0.0 109.392 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 98.9 mm-40 -67.93 -55.95 10.85 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 110.09 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -56.97 -31.09 64.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.243 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.9 -29.67 70.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -57.95 -31.68 67.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -60.48 -43.67 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.904 . . . . 0.0 110.635 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.99 -31.67 42.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.952 . . . . 0.0 110.365 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -70.28 -60.77 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.364 -0.835 . . . . 0.0 110.259 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 33' ' ' ILE . 67.6 mt -61.77 -32.28 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.202 -0.936 . . . . 0.0 110.178 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.29 -50.99 71.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.664 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' HA ' HG22 ' A' ' 38' ' ' ILE . 1.1 t80 -57.19 -46.62 82.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.416 -0.802 . . . . 0.0 109.399 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.1 -22.53 64.73 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.265 -0.897 . . . . 0.0 110.331 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 37' ' ' LEU . 6.8 tt -89.98 -45.81 8.94 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.372 -0.83 . . . . 0.0 110.504 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 35' ' ' PHE . 11.5 tt -71.24 -19.07 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.258 -0.901 . . . . 0.0 110.739 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -72.07 -19.24 61.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.307 -0.871 . . . . 0.0 111.124 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 41' ' ' PHE . 27.6 pt -131.39 -36.55 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.926 -1.109 . . . . 0.0 111.012 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.44 ' N ' HG13 ' A' ' 40' ' ' ILE . 49.1 t80 -55.14 -23.69 22.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.443 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 45' ' ' ILE . 51.8 tp -85.11 -62.89 1.43 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.244 -0.91 . . . . 0.0 110.48 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.9 pp -61.58 -13.54 22.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.26 -0.9 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.76 ' N ' HD12 ' A' ' 43' ' ' LEU . 53.5 tp -87.04 -57.04 3.12 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 120.953 -1.092 . . . . 0.0 110.915 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' ' 49' ' ' VAL . 31.9 pt -53.85 -21.88 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.267 -0.896 . . . . 0.0 110.842 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 50' ' ' MET . 51.3 t -59.19 -33.44 70.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.133 -0.979 . . . . 0.0 110.699 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.716 ' N ' HD12 ' A' ' 47' ' ' ILE . 2.1 mp -82.06 -20.66 10.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.3 mt -90.77 -39.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.235 -0.916 . . . . 0.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 50' ' ' MET . 12.0 p -63.93 -41.63 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.232 -0.918 . . . . 0.0 110.348 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.54 ' N ' HG13 ' A' ' 49' ' ' VAL . 92.0 mmm -59.23 -17.45 28.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.08 -1.013 . . . . 0.0 110.655 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.5 mt -97.12 -42.4 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.026 -1.046 . . . . 0.0 110.335 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.248 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.822 0.82 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.02 -41.22 2.55 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.4 0.619 . . . . 0.0 109.655 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -112.77 -29.99 7.22 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.386 -0.821 . . . . 0.0 109.985 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.79 -32.88 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 12.5 pt20 -68.88 -41.27 78.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.914 . . . . 0.0 110.356 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.476 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 6.6 t80 -83.81 -36.23 23.66 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.097 -1.002 . . . . 0.0 109.772 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 7' ' ' LEU . 5.5 tt -55.81 -35.44 66.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 109.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -74.26 -33.14 63.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.096 -1.003 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.74 -35.5 22.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 110.172 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.8 p -63.66 -16.55 61.29 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.472 -0.767 . . . . 0.0 110.054 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.97 -21.69 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.19 -0.944 . . . . 0.0 110.791 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.739 ' N ' HD12 ' A' ' 12' ' ' ILE . 2.6 mp -92.3 -43.36 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.017 -1.052 . . . . 0.0 110.66 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -54.18 -41.22 68.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.044 -1.035 . . . . 0.0 110.125 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -57.52 -19.21 23.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.28 -14.77 21.14 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.156 -0.965 . . . . 0.0 111.111 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -133.88 17.52 3.85 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.995 -1.065 . . . . 0.0 111.081 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.6 m -127.6 -26.84 2.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.141 -0.974 . . . . 0.0 110.567 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -97.03 -17.37 6.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 O-C-N 120.987 -1.071 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -103.22 -31.67 9.99 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 111.16 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.509 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 67.2 mtm -128.78 51.4 7.24 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 20' ' ' MET . 46.1 Cg_endo -73.77 -21.34 18.97 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 O-C-N 123.637 1.336 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 52.5 mm-40 -102.65 -32.76 9.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 53.8 tt0 -83.47 -42.73 16.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.078 -1.013 . . . . 0.0 110.256 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 20' ' ' MET . . . -61.94 -44.7 96.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 109.584 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -59.67 -51.47 69.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.329 -0.857 . . . . 0.0 109.784 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 11.0 mm100 -69.36 -49.89 51.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 20.0 t-20 -49.99 -30.42 10.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.475 -0.766 . . . . 0.0 110.367 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.816 ' O ' HD13 ' A' ' 28' ' ' LEU . 2.1 tm? -54.47 -35.2 62.78 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.355 -0.841 . . . . 0.0 109.428 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -70.12 -31.31 68.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.0 110.491 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.556 ' HA ' HG22 ' A' ' 33' ' ' ILE . 45.2 t30 -59.02 -32.19 69.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 110.5 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.41 -31.34 71.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.206 -0.934 . . . . 0.0 110.273 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.92 -53.02 7.15 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.19 -0.944 . . . . 0.0 110.381 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 30' ' ' ASN . 12.4 tt -63.93 -37.86 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.152 -0.967 . . . . 0.0 109.785 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' N ' HG23 ' A' ' 33' ' ' ILE . 43.7 t30 -62.83 -43.46 98.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 110.236 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.513 ' HA ' HG22 ' A' ' 38' ' ' ILE . 47.3 t80 -55.57 -35.64 65.99 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.3 t -69.2 -29.8 67.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.086 -1.009 . . . . 0.0 109.727 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.691 HD23 ' C ' ' A' ' 37' ' ' LEU . 6.6 tt -80.9 -42.6 21.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.419 -0.801 . . . . 0.0 110.149 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 35' ' ' PHE . 8.3 tp -77.22 -15.77 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 110.431 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' C ' HG23 ' A' ' 40' ' ' ILE . 48.0 tp -62.99 -14.51 48.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.307 -0.871 . . . . 0.0 110.952 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.736 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -150.1 -34.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.886 -1.134 . . . . 0.0 111.373 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.74 ' O ' HG23 ' A' ' 45' ' ' ILE . 48.0 t80 -49.62 -30.83 9.54 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.896 -1.128 . . . . 0.0 110.504 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -58.18 -18.2 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.83 ' N ' HD12 ' A' ' 42' ' ' LEU . 2.9 tm? -93.41 -42.77 9.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.106 -0.996 . . . . 0.0 109.473 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 47' ' ' ILE . 93.4 mt -61.69 -36.73 81.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.665 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 41' ' ' PHE . 28.6 pt -55.97 -23.34 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.271 -0.893 . . . . 0.0 110.932 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.44 -58.11 3.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.913 -1.117 . . . . 0.0 111.238 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.598 HG13 HG23 ' A' ' 48' ' ' ILE . 31.0 pt -62.0 -21.88 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.12 -0.988 . . . . 0.0 111.671 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.763 HG13 HG23 ' A' ' 49' ' ' VAL . 28.7 pt -94.59 -37.05 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.715 -1.241 . . . . 0.0 111.093 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.763 HG23 HG13 ' A' ' 48' ' ' ILE . 94.6 t -87.59 -11.95 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.0 -1.063 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.8 tpt -81.64 -16.46 51.36 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 120.956 -1.09 . . . . 0.0 110.401 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.78 -8.24 41.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.669 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.198 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' HG3' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.734 0.778 . . . . 0.0 109.748 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 3.0 p30 -117.38 -23.46 7.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 15.0 ptmm? -105.09 -37.32 6.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 98.0 t -50.1 -24.96 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.146 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 9' ' ' ARG . 95.3 mm-40 -76.5 -52.21 10.24 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 110.333 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 9.8 m-30 -60.87 -48.08 83.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.143 -0.973 . . . . 0.0 110.788 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.54 ' N ' HD22 ' A' ' 7' ' ' LEU . 4.4 mm? -59.11 -48.64 80.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.13 -0.981 . . . . 0.0 109.951 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -67.75 -57.28 6.61 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.281 -0.887 . . . . 0.0 109.742 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 5' ' ' GLN . 47.2 mmt-85 -52.92 -38.5 61.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 109.944 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 93.3 p -71.1 -23.4 62.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.261 -0.899 . . . . 0.0 109.598 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 -33.56 51.69 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.329 -0.857 . . . . 0.0 110.526 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 12' ' ' ILE . 7.0 tp -95.65 -22.8 5.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.157 -0.964 . . . . 0.0 110.335 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' CD ' ' OG1' ' A' ' 17' ' ' THR . 14.2 tpp85 -60.49 -24.11 65.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.213 -0.929 . . . . 0.0 109.881 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 83.6 mtm180 -63.84 -24.03 67.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.366 -0.834 . . . . 0.0 110.113 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.33 -38.01 7.82 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.183 -0.948 . . . . 0.0 110.124 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -73.89 -2.73 25.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -127.05 -2.79 6.43 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.998 -1.064 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 47.9 mm -115.17 -15.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 O-C-N 121.011 -1.056 . . . . 0.0 109.761 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.27 -31.73 12.77 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.25 -0.906 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 80.3 mtp -135.56 51.2 5.25 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.812 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 20' ' ' MET . 45.2 Cg_endo -72.71 -39.52 2.49 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 O-C-N 123.722 1.38 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -73.94 -50.25 20.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 110.533 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -63.09 -52.8 61.26 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.079 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -53.67 -37.7 63.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.965 . . . . 0.0 109.783 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -63.56 -47.88 79.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.939 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -65.35 -54.74 24.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.351 -0.843 . . . . 0.0 110.253 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' HB2' ' OE1' ' A' ' 23' ' ' GLN . 52.7 t-20 -50.38 -36.1 31.16 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.469 -0.769 . . . . 0.0 110.269 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.63 -31.67 37.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.182 -0.948 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -71.17 -15.45 62.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 110.72 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -77.79 -48.36 16.75 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.057 -1.027 . . . . 0.0 110.735 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 58.3 tp -51.88 -29.91 21.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 110.513 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HB3' HD12 ' A' ' 33' ' ' ILE . 6.1 t80 -62.07 -41.37 98.09 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.303 -0.873 . . . . 0.0 110.053 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.735 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.3 mp -83.58 -50.22 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.618 ' O ' HG22 ' A' ' 38' ' ' ILE . 52.9 t-20 -52.86 -34.9 56.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.761 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CE1' HD11 ' A' ' 39' ' ' LEU . 5.7 t80 -65.13 -41.94 94.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 110.011 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.791 ' O ' HD13 ' A' ' 40' ' ' ILE . 53.4 t -81.51 -6.92 59.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.218 -0.927 . . . . 0.0 110.762 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD13 ' O ' ' A' ' 37' ' ' LEU . 2.9 tm? -107.26 -32.71 7.67 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.02 -1.05 . . . . 0.0 109.332 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 34' ' ' ASN . 8.5 tp -72.84 -37.1 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 110.232 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 35' ' ' PHE . 90.3 mt -68.53 -23.11 64.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.968 . . . . 0.0 110.813 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 36' ' ' CYS . 2.1 mp -96.7 -34.54 5.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.041 -1.037 . . . . 0.0 110.34 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.67 -45.4 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 110.641 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.742 HD12 ' N ' ' A' ' 43' ' ' LEU . 4.0 pp -61.37 -15.74 39.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 110.99 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 43' ' ' LEU . 5.5 tt -92.47 -37.42 12.54 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.07 -1.019 . . . . 0.0 109.681 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 48' ' ' ILE . 90.5 mt -69.36 -46.12 67.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 110.724 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' HD11 ' A' ' 48' ' ' ILE . 31.2 pt -58.44 -27.24 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.819 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.0 t -77.38 -28.56 52.87 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.119 -0.988 . . . . 0.0 111.056 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 44' ' ' LEU . 34.6 pt -96.9 3.9 9.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.05 -1.031 . . . . 0.0 111.391 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.64 HG13 HG23 ' A' ' 49' ' ' VAL . 31.8 pt -117.59 -26.0 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.841 -1.162 . . . . 0.0 110.179 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.64 HG23 HG13 ' A' ' 48' ' ' ILE . 91.9 t -91.31 -29.66 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 110.182 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ptm -64.93 -17.57 64.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.12 -0.988 . . . . 0.0 110.213 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.686 ' C ' HD12 ' A' ' 51' ' ' LEU . 2.6 pp -121.96 19.37 10.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 110.45 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 C--N 1.304 -1.398 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.008 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' HG3' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.462 0.648 . . . . 0.0 110.204 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -119.65 -8.99 9.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.892 -1.13 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -112.42 -31.78 6.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 0.0 110.628 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.06 -22.44 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.155 -0.966 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -81.57 -67.11 0.81 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.189 -0.944 . . . . 0.0 110.644 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.433 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 9.8 m-30 -53.96 -31.86 51.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.255 -0.903 . . . . 0.0 110.704 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' ALA . 57.2 tp -71.72 -56.6 5.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -58.01 -43.08 86.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.293 -0.879 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.65 -23.6 4.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.21 -0.931 . . . . 0.0 110.443 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -121.87 -8.86 8.86 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.316 -0.865 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' HD13 ' A' ' 12' ' ' ILE . . . -95.32 -13.04 25.12 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.005 -1.059 . . . . 0.0 110.843 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 11' ' ' ALA . 46.1 mm -130.38 -33.8 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 121.015 -1.053 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.44 -57.11 10.18 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.883 -1.136 . . . . 0.0 109.827 -179.731 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.501 ' O ' HG21 ' A' ' 18' ' ' ILE . 17.1 ptm180 -85.15 9.94 13.57 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.127 -0.983 . . . . 0.0 110.64 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.89 -14.76 8.0 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 121.094 -1.004 . . . . 0.0 110.757 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -131.92 0.29 3.86 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.976 -1.077 . . . . 0.0 111.79 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 17' ' ' THR . 86.4 m -125.7 1.55 7.49 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.175 -0.953 . . . . 0.0 110.015 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.918 HD13 ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.73 -27.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 108.767 179.085 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' A' ' 19' ' ' GLU . 44.4 tp10 -103.46 -31.05 10.17 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.19 -0.944 . . . . 0.0 110.473 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -132.82 59.57 43.89 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.304 -0.873 . . . . 0.0 110.439 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.4 -34.17 6.19 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.699 1.368 . . . . 0.0 110.209 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.24 -38.78 30.32 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -74.27 -51.55 14.96 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.266 -0.896 . . . . 0.0 109.906 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.96 -43.02 60.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -68.16 -28.99 67.77 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.373 -0.829 . . . . 0.0 108.941 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 4.3 tp-100 -75.9 -61.79 1.81 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.665 -0.647 . . . . 0.0 109.796 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.508 ' OD1' ' ND2' ' A' ' 30' ' ' ASN . 42.2 t30 -50.11 -30.13 10.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.521 -0.737 . . . . 0.0 110.617 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.04 -25.39 2.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.884 . . . . 0.0 110.706 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -56.21 -21.34 22.59 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.214 -0.929 . . . . 0.0 110.492 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.508 ' ND2' ' OD1' ' A' ' 27' ' ' ASN . 50.4 m-20 -54.45 -39.19 67.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.485 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 58.9 tp -55.23 -32.16 62.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -59.2 2.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.249 -0.907 . . . . 0.0 110.283 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 30' ' ' ASN . 10.9 tt -56.86 -23.04 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.22 -0.925 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -74.72 -62.6 1.48 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.218 -0.927 . . . . 0.0 110.344 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 13.1 m-30 -56.95 -18.75 14.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.869 . . . . 0.0 110.761 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.53 -40.74 20.58 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.977 -1.077 . . . . 0.0 110.606 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.8 mt -84.42 -35.42 23.09 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 110.875 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.8 mm -68.0 -34.05 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.765 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 35' ' ' PHE . 93.3 mt -78.04 -18.86 55.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 110.777 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.9 mt -105.5 -33.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.104 -0.997 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.56 -40.05 86.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.204 -0.935 . . . . 0.0 110.471 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.24 -43.79 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 109.799 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 46' ' ' CYS . 59.5 tp -74.23 -31.63 62.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.279 -0.888 . . . . 0.0 109.961 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 44' ' ' LEU . 2.7 tm? -63.62 -54.1 41.11 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.259 -0.9 . . . . 0.0 110.212 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.7 pt -60.11 -22.88 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.127 -0.983 . . . . 0.0 110.731 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 53.6 t -57.16 -39.51 75.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.721 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.71 ' O ' HD13 ' A' ' 51' ' ' LEU . 63.1 mt -59.32 -22.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.154 -0.966 . . . . 0.0 110.654 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.2 mt -92.02 -29.56 4.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.282 -0.886 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.3 t -73.11 -39.28 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.28 -0.888 . . . . 0.0 110.31 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.668 ' C ' HD12 ' A' ' 51' ' ' LEU . 83.9 mtp -62.24 -20.1 63.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 110.492 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.739 ' N ' HD12 ' A' ' 51' ' ' LEU . 6.7 mp -110.46 -57.9 2.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.068 -1.02 . . . . 0.0 110.292 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.729 ' N ' HD12 ' A' ' 52' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.124 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptp . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.838 0.828 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 2.7 p30 -167.39 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.616 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.4 ptpt -113.84 -25.47 8.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.871 -1.143 . . . . 0.0 110.305 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.04 -23.61 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -77.95 -58.4 3.28 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.232 -0.918 . . . . 0.0 110.022 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 47.6 t80 -59.26 -33.25 70.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.196 -0.94 . . . . 0.0 110.065 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.83 -52.66 62.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 110.167 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -68.47 -25.58 65.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.227 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 10.9 tpt180 -48.46 -33.56 9.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.36 -0.837 . . . . 0.0 110.01 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -64.21 -28.17 69.56 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.502 -0.749 . . . . 0.0 109.601 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.63 -31.72 32.28 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.276 -0.89 . . . . 0.0 109.852 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -71.08 -50.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -61.77 -21.02 64.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 0.0 110.393 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 tpt85 -63.8 -22.57 66.98 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.16 -0.963 . . . . 0.0 109.728 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.16 -24.58 6.93 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.327 -0.858 . . . . 0.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 t -95.84 23.66 6.11 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.182 -0.949 . . . . 0.0 110.925 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.3 m -127.77 -11.78 5.46 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.114 -0.991 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.04 -28.87 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.035 -1.041 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -116.61 -18.67 10.27 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.306 -0.871 . . . . 0.0 110.41 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.533 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.1 tpt -63.22 -43.79 81.61 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.943 . . . . 0.0 111.232 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 20' ' ' MET . 45.3 Cg_endo -74.78 -49.28 0.16 Allowed 'Trans proline' 0 C--N 1.319 -1.01 0 O-C-N 122.877 0.935 . . . . 0.0 110.147 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -57.16 -32.11 66.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 109.652 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.42 -42.08 17.38 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.404 -0.81 . . . . 0.0 109.914 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.49 -41.04 63.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.09 -50.31 73.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.458 -0.777 . . . . 0.0 109.291 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.07 -53.9 11.46 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.446 -0.784 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -54.58 -20.47 8.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.497 -0.752 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 28' ' ' LEU . 5.6 tt -50.59 -32.79 19.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -0.988 . . . . 0.0 109.761 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 30' ' ' ASN . 19.2 pt20 -54.06 -37.09 63.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.109 -0.995 . . . . 0.0 109.505 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 74.9 m-20 -78.28 -39.67 39.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.45 -0.781 . . . . 0.0 110.255 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -53.27 -33.89 55.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 109.752 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -58.52 -61.43 2.6 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.42 -0.8 . . . . 0.0 109.799 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -68.15 -37.13 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.402 -0.811 . . . . 0.0 109.942 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -55.3 -45.14 76.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.148 -0.97 . . . . 0.0 109.331 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.42 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 5.8 t80 -62.97 -28.85 70.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.451 -0.781 . . . . 0.0 109.091 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.446 ' CA ' HD22 ' A' ' 39' ' ' LEU . 75.7 m -96.31 1.94 52.38 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.462 -0.774 . . . . 0.0 110.536 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 42' ' ' LEU . 50.9 tp -118.42 -12.08 9.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.088 -1.007 . . . . 0.0 110.939 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.755 ' HA ' HD23 ' A' ' 42' ' ' LEU . 50.7 mm -114.24 -20.86 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.919 -1.113 . . . . 0.0 110.07 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 39' ' ' LEU . 2.2 pt? -55.63 -17.18 5.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.348 -0.845 . . . . 0.0 111.181 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.569 HG22 ' HG ' ' A' ' 39' ' ' LEU . 10.4 tt -167.04 -31.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.747 -1.22 . . . . 0.0 112.706 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 58.4 m-85 -58.83 -18.16 30.04 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.616 -1.302 . . . . 0.0 111.428 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 38' ' ' ILE . 4.3 mm? -93.49 -18.23 22.52 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.823 -1.173 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 57.8 tp -90.74 -50.37 5.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.265 -0.897 . . . . 0.0 109.939 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 44' ' ' LEU . 4.6 tt -56.46 -41.56 76.72 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.261 -0.9 . . . . 0.0 110.054 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.913 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -54.48 -27.61 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.155 -0.966 . . . . 0.0 110.032 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.563 ' HA ' HG22 ' A' ' 49' ' ' VAL . 41.9 t -75.89 -14.18 60.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.047 -1.033 . . . . 0.0 111.266 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 44' ' ' LEU . 1.8 mp -77.68 -27.1 15.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.93 -1.107 . . . . 0.0 110.031 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 45' ' ' ILE . 40.6 pt -93.31 -25.45 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 45' ' ' ILE . 19.3 m -73.71 -35.46 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.031 -1.043 . . . . 0.0 109.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.443 ' HG2' HG23 ' A' ' 49' ' ' VAL . 92.8 mmm -73.07 -16.04 61.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.442 -0.786 . . . . 0.0 110.963 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -122.88 -48.23 2.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 110.692 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' ILE . 84.1 mt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.435 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 tpp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.085 0.469 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.27 -0.57 12.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.874 -1.141 . . . . 0.0 110.389 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 19.3 ptpt -113.3 -30.36 6.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.91 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 4' ' ' VAL . 8.2 p -83.19 -13.66 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 0.0 110.108 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -80.36 -69.57 0.58 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.227 -0.92 . . . . 0.0 110.193 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 9.9 m-30 -58.56 -35.12 71.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 64.6 tp -56.28 -45.04 80.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 91.1 m -70.05 -34.07 72.76 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.35 -0.844 . . . . 0.0 110.426 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -51.21 -40.82 59.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.114 -0.991 . . . . 0.0 109.969 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -64.76 -20.69 66.5 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.385 -0.822 . . . . 0.0 109.502 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -82.08 -21.75 36.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.241 -0.912 . . . . 0.0 110.107 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.57 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.329 -0.857 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 11.2 tpt180 -53.71 -39.95 65.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.751 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.428 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 50.4 ttt-85 -53.43 -29.83 37.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 110.676 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.24 -34.66 9.15 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.171 -0.955 . . . . 0.0 111.199 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 82.8 p -76.45 -0.18 22.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.035 -1.041 . . . . 0.0 111.121 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 17' ' ' THR . 86.8 m -125.1 14.01 8.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 109.814 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 46.9 mm -123.68 -24.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.371 -0.83 . . . . 0.0 110.24 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -118.54 -13.29 9.7 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.09 -1.006 . . . . 0.0 110.661 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.542 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 57.2 ttp -56.98 -43.35 99.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 0.0 111.9 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 20' ' ' MET . 43.1 Cg_endo -72.81 -39.83 2.23 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 122.847 0.92 . . . . 0.0 110.589 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -69.05 -33.99 74.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.1 tp-100 -83.28 -41.81 17.89 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.294 -0.878 . . . . 0.0 110.029 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.3 65.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 109.4 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.41 -43.11 79.02 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.414 -0.804 . . . . 0.0 109.327 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -72.32 -49.94 30.72 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.589 -0.695 . . . . 0.0 109.803 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -61.82 -19.07 62.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.551 -0.718 . . . . 0.0 110.439 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.29 -39.51 67.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.117 -0.99 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -64.76 -37.31 87.16 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.275 -0.891 . . . . 0.0 110.022 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.88 -33.96 72.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.363 -0.836 . . . . 0.0 110.134 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.47 -27.27 65.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.386 -0.821 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -81.83 -33.15 30.85 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.191 -0.943 . . . . 0.0 110.384 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.0 mt -79.66 -42.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.216 -0.927 . . . . 0.0 110.43 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -63.94 -48.26 77.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.855 . . . . 0.0 110.462 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.539 ' HA ' HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -59.14 -48.89 79.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 109.758 -179.773 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.14 -25.99 62.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.007 -1.058 . . . . 0.0 109.691 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD23 ' C ' ' A' ' 37' ' ' LEU . 6.4 tt -80.8 -52.6 7.33 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.459 -0.776 . . . . 0.0 109.805 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' PHE . 9.2 tp -69.61 -14.54 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.22 -0.925 . . . . 0.0 110.773 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 tp -71.62 -24.89 61.96 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.184 -0.947 . . . . 0.0 111.563 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.536 ' C ' HD23 ' A' ' 42' ' ' LEU . 26.2 pt -128.97 -38.41 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.741 -1.224 . . . . 0.0 111.104 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' HA ' HD23 ' A' ' 44' ' ' LEU . 42.6 m-85 -66.08 -14.93 62.58 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 110.498 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 42' ' ' LEU . 2.7 pt? -55.93 -34.15 65.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.943 -1.098 . . . . 0.0 109.683 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 61.5 tp -78.78 -26.9 44.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.059 -1.025 . . . . 0.0 110.207 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.667 ' N ' HD22 ' A' ' 44' ' ' LEU . 3.7 mm? -75.29 -44.75 43.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.453 -0.78 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HA ' HD11 ' A' ' 48' ' ' ILE . 29.8 pt -65.81 -22.82 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.111 -0.993 . . . . 0.0 110.089 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.11 -52.44 7.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 111.562 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 51' ' ' LEU . 33.7 pt -55.1 -22.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.876 -1.14 . . . . 0.0 110.97 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.674 HG13 HG23 ' A' ' 49' ' ' VAL . 34.6 pt -92.23 -31.81 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.044 -1.035 . . . . 0.0 110.5 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.674 HG23 HG13 ' A' ' 48' ' ' ILE . 98.3 t -91.64 -38.92 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 110.225 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mmt -63.58 -24.28 67.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 110.347 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 47' ' ' ILE . 90.4 mt -97.29 -7.22 32.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.362 -0.836 . . . . 0.0 110.567 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.088 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG3' ' CG2' ' A' ' 4' ' ' VAL . 51.9 ttp . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.539 0.685 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 12.0 p-10 -169.36 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 109.914 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.488 ' NZ ' HD11 ' A' ' 7' ' ' LEU . 57.0 tttm -86.34 -35.59 19.75 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.401 -0.812 . . . . 0.0 110.327 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 1' ' ' MET . 27.8 m -64.44 -24.29 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -72.5 -53.93 10.67 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.413 -0.804 . . . . 0.0 110.305 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 2' ' ' ASP . 42.7 m-85 -58.58 -47.92 82.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.079 -1.013 . . . . 0.0 110.083 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.488 HD11 ' NZ ' ' A' ' 3' ' ' LYS . 93.3 mt -56.62 -42.01 78.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.143 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -64.37 -55.35 21.74 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.941 . . . . 0.0 109.874 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 41.2 ttm-85 -51.94 -34.56 42.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.279 -0.888 . . . . 0.0 109.877 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 48.0 t -76.13 -16.15 59.94 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.893 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.33 -40.96 8.87 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 121.302 -0.874 . . . . 0.0 109.984 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 13' ' ' ARG . 7.4 tp -63.69 -38.2 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.298 -0.876 . . . . 0.0 110.215 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' N ' HG23 ' A' ' 12' ' ' ILE . 20.3 mmt85 -64.79 -23.35 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.054 -1.028 . . . . 0.0 110.215 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.778 ' HA ' HD13 ' A' ' 18' ' ' ILE . 44.2 mmt-85 -77.03 -17.85 58.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 110.493 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.16 0.96 16.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.144 -0.972 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.0 p -123.73 -6.0 8.03 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.025 -1.047 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.608 ' C ' HD12 ' A' ' 18' ' ' ILE . 95.2 m -125.57 -14.99 6.2 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.331 -0.856 . . . . 0.0 110.038 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.778 HD13 ' HA ' ' A' ' 14' ' ' ARG . 2.5 mp -107.71 -10.5 10.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.17 -0.956 . . . . 0.0 109.704 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -118.79 -31.43 4.81 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.019 -1.051 . . . . 0.0 110.462 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 83.3 mtp -141.12 65.82 23.36 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.224 -0.923 . . . . 0.0 110.389 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -87.01 -80.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.669 1.352 . . . . 0.0 111.013 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.2 pt20 -56.73 -24.67 51.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 111.029 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -82.4 -62.07 1.72 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.91 -1.119 . . . . 0.0 110.345 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 20' ' ' MET . . . -50.38 -39.49 46.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.955 -1.09 . . . . 0.0 110.224 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.97 -55.59 18.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.214 -0.929 . . . . 0.0 110.119 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 13.4 mm100 -64.86 -50.82 65.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.337 -0.852 . . . . 0.0 110.291 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -55.15 -35.0 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.479 -0.763 . . . . 0.0 111.164 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 28' ' ' LEU . 5.7 tt -56.08 -33.95 65.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.817 -1.177 . . . . 0.0 109.785 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.54 -37.63 22.76 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.245 -0.91 . . . . 0.0 110.226 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -53.42 -33.32 53.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.0 110.194 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.917 HD12 ' CE1' ' A' ' 35' ' ' PHE . 57.8 tp -58.37 -32.13 68.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.278 -0.889 . . . . 0.0 110.083 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -78.55 -40.55 34.57 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.365 -0.834 . . . . 0.0 110.949 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.1 mp -81.12 -45.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.033 -1.042 . . . . 0.0 109.928 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -53.01 -37.37 61.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.254 -0.904 . . . . 0.0 109.96 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.917 ' CE1' HD12 ' A' ' 31' ' ' LEU . 10.0 m-85 -84.14 -21.3 31.42 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.343 -0.848 . . . . 0.0 109.695 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.3 -37.52 37.54 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.774 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 tp -72.52 -51.53 19.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.375 -0.828 . . . . 0.0 110.182 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 39' ' ' LEU . 7.1 tp -56.57 -39.6 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.338 -0.851 . . . . 0.0 110.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.613 HD23 ' C ' ' A' ' 39' ' ' LEU . 4.9 tt -59.0 -52.65 64.86 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.296 -0.877 . . . . 0.0 109.452 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.49 -44.02 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -53.4 -48.85 68.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.793 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.8 tt -54.55 -41.57 69.92 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.309 -0.869 . . . . 0.0 109.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.97 -51.53 69.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.265 -0.897 . . . . 0.0 111.487 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.583 ' N ' HD22 ' A' ' 44' ' ' LEU . 4.1 mm? -65.47 -49.24 69.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 111.303 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 45' ' ' ILE . 1.8 mp -72.41 -1.96 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 111.251 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 49' ' ' VAL . 40.9 t -93.82 -28.77 15.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.706 -1.246 . . . . 0.0 110.676 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.06 -13.98 17.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.156 -0.965 . . . . 0.0 110.868 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 49' ' ' VAL . 8.6 tp -99.03 -36.56 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.095 -1.003 . . . . 0.0 110.684 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 46' ' ' CYS . 14.3 p -75.58 -30.67 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.129 -0.982 . . . . 0.0 110.514 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 mmt -74.66 -2.33 25.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -106.8 12.5 28.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 110.661 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.019 -1.051 . . . . 0.0 110.147 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.93 0.871 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.57 -39.8 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.286 0.565 . . . . 0.0 109.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 64.4 pttt -110.3 -35.42 6.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.894 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 8.1 p -64.59 -12.68 13.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.79 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 3.0 pt20 -75.2 -45.89 37.57 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.053 -1.029 . . . . 0.0 111.179 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 11.3 p90 -87.11 -34.12 19.22 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.705 -1.247 . . . . 0.0 109.207 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' HG ' ' CE1' ' A' ' 6' ' ' TYR . 83.2 mt -57.94 -40.59 80.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.035 -1.041 . . . . 0.0 109.61 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -70.53 -41.63 72.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.175 -0.953 . . . . 0.0 110.185 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.69 -42.34 64.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.048 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.49 -8.78 58.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.437 -0.79 . . . . 0.0 110.507 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.707 ' C ' HD12 ' A' ' 12' ' ' ILE . . . -78.36 -30.98 48.28 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.976 -1.077 . . . . 0.0 110.986 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.758 ' N ' HD12 ' A' ' 12' ' ' ILE . 2.4 mp -112.92 -39.5 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 120.966 -1.084 . . . . 0.0 110.799 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 17' ' ' THR . 18.6 mmt85 -65.24 -45.67 83.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 110.48 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 2.3 mtp-105 -91.38 27.21 2.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.072 -1.018 . . . . 0.0 110.35 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.7 -40.04 0.23 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.312 -0.867 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -97.5 1.56 49.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.282 -0.886 . . . . 0.0 111.709 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 88.2 m -124.73 -12.27 7.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.121 -0.987 . . . . 0.0 110.562 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.741 HG23 ' HG2' ' A' ' 19' ' ' GLU . 7.4 tp -110.3 -19.62 6.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.023 -1.048 . . . . 0.0 109.862 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.741 ' HG2' HG23 ' A' ' 18' ' ' ILE . 67.6 mm-40 -103.03 -20.03 14.35 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.112 -0.993 . . . . 0.0 110.465 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 24.6 ptm -144.27 55.37 3.33 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 110.436 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 20' ' ' MET . 44.1 Cg_endo -71.36 -29.14 17.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.661 1.348 . . . . 0.0 109.992 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 85.3 mt-30 -86.05 -32.7 21.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 110.047 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.3 tp-100 -82.21 -48.1 11.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.269 -0.894 . . . . 0.0 109.876 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.83 66.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.359 -0.838 . . . . 0.0 110.002 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.57 -45.16 89.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 109.988 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 97.2 mm-40 -69.51 -45.07 69.77 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.321 -0.862 . . . . 0.0 110.022 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.66 -41.86 87.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.436 -0.79 . . . . 0.0 110.646 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 tp -51.39 -25.08 5.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.231 -0.918 . . . . 0.0 110.353 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.66 -29.1 51.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 33' ' ' ILE . 49.6 m-20 -59.78 -30.57 68.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 110.601 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.7 -29.01 70.29 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.093 -1.004 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -73.74 -53.07 11.17 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.4 -0.813 . . . . 0.0 110.91 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.785 HD13 ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.65 -37.43 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.115 -0.99 . . . . 0.0 110.169 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . 53.0 t-20 -63.6 -54.6 33.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.953 -1.092 . . . . 0.0 109.99 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 47.5 t80 -59.42 -46.11 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.0 110.157 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.84 -39.75 82.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.11 -0.994 . . . . 0.0 109.618 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 41' ' ' PHE . 2.5 tm? -63.48 -55.18 26.16 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.424 -0.798 . . . . 0.0 109.123 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.1 tp -67.91 -23.49 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.67 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.3 tp -79.75 -32.6 41.06 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.257 -0.902 . . . . 0.0 111.581 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 40' ' ' ILE . 62.0 mt -96.31 -28.15 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.901 -1.124 . . . . 0.0 111.727 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.653 ' CE1' HD22 ' A' ' 37' ' ' LEU . 9.8 m-85 -82.4 -24.67 34.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 111.029 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -59.8 -21.25 60.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.821 -1.174 . . . . 0.0 109.829 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.88 ' N ' HD12 ' A' ' 42' ' ' LEU . 62.4 tp -88.73 -37.76 15.24 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.288 -0.882 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.19 -45.29 85.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.868 . . . . 0.0 110.935 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 pt -55.18 -20.72 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.692 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 50' ' ' MET . 53.6 t -82.36 -26.55 32.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 110.859 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.93 -40.93 88.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.184 -0.948 . . . . 0.0 111.287 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 49' ' ' VAL . 28.7 pt -79.06 -34.97 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.023 -1.048 . . . . 0.0 111.06 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.423 ' N ' HG13 ' A' ' 48' ' ' ILE . 64.6 t -72.62 -31.46 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.152 -0.968 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 46' ' ' CYS . 26.3 mmt -83.45 -1.96 54.77 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.078 -1.014 . . . . 0.0 111.254 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.88 -38.69 2.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.011 -1.055 . . . . 0.0 110.337 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.141 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.412 ' O ' ' HG3' ' A' ' 1' ' ' MET . 47.2 tpp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.15 0.5 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -117.37 -6.42 11.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.957 -1.089 . . . . 0.0 110.661 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -103.51 -34.22 8.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.093 -1.004 . . . . 0.0 109.911 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.15 -49.93 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.4 pt20 -54.71 -34.35 62.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.113 -0.992 . . . . 0.0 109.658 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.442 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -72.2 -57.88 3.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 0.0 109.744 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -56.81 -32.91 66.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.433 -0.792 . . . . 0.0 110.185 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.4 m -70.27 -48.4 56.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.697 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -49.88 -33.24 16.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.16 -0.962 . . . . 0.0 109.937 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -78.66 -24.51 45.1 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.55 -0.719 . . . . 0.0 109.725 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.97 -50.01 9.63 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.423 -0.798 . . . . 0.0 110.168 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 13' ' ' ARG . 6.9 tp -58.92 -37.46 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 12' ' ' ILE . 45.7 ttm-85 -53.05 -23.01 6.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.436 -0.79 . . . . 0.0 109.761 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 4.9 mtp-105 -61.51 -41.06 96.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.913 . . . . 0.0 109.481 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.34 -19.74 13.6 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -89.89 19.56 4.75 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.226 -0.921 . . . . 0.0 110.74 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.415 ' OG1' ' HG3' ' A' ' 13' ' ' ARG . 96.2 m -127.17 -15.99 5.12 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.231 -0.918 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.417 ' H ' HG22 ' A' ' 18' ' ' ILE . 7.3 tp -94.32 -19.33 6.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 120.895 -1.128 . . . . 0.0 109.593 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 23' ' ' GLN . 16.3 pt-20 -122.72 10.84 9.69 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.297 -0.877 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.539 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 49.1 ttm -55.27 -43.72 99.25 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 0.0 112.043 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 20' ' ' MET . 42.9 Cg_endo -72.09 -34.78 7.8 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 122.894 0.944 . . . . 0.0 110.943 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 85.4 mt-30 -91.11 -8.37 49.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 110.681 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.1 tp-100 -100.08 -41.57 7.09 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.124 -0.985 . . . . 0.0 109.845 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.31 82.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.24 -0.912 . . . . 0.0 109.353 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 3.5 ttm105 -55.67 -33.49 64.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 12.4 mm100 -75.8 -54.87 6.26 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.578 -0.701 . . . . 0.0 109.554 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -59.74 -34.73 73.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.466 -0.771 . . . . 0.0 110.663 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.01 -28.13 9.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 110.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -70.73 -58.1 3.99 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.397 -0.814 . . . . 0.0 110.209 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' HA ' HG22 ' A' ' 33' ' ' ILE . 5.3 m120 -54.65 -33.42 60.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -0.892 . . . . 0.0 110.22 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.65 -33.29 66.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.25 -0.906 . . . . 0.0 110.031 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -73.75 -63.97 1.1 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.26 -41.66 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.354 -0.842 . . . . 0.0 109.795 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.596 ' OD1' HD13 ' A' ' 38' ' ' ILE . 21.7 t-20 -63.83 -51.23 65.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.284 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 49.0 t80 -49.86 -24.42 2.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.206 -0.934 . . . . 0.0 110.566 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -94.33 -13.91 25.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 0.0 110.809 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 tp -91.06 -40.11 11.81 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.702 HD12 ' N ' ' A' ' 38' ' ' ILE . 2.1 mp -78.34 -43.42 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.02 . . . . 0.0 109.531 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.734 ' O ' HD23 ' A' ' 39' ' ' LEU . 5.1 tt -50.94 -41.22 58.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 0.0 109.668 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 41' ' ' PHE . 28.0 pt -84.59 -38.06 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.374 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.462 ' N ' HG13 ' A' ' 40' ' ' ILE . 49.4 t80 -51.88 -38.31 55.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 110.16 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 85.3 mt -63.04 -17.31 62.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 110.74 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.26 -36.78 16.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.119 -0.988 . . . . 0.0 110.846 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.666 ' N ' HD22 ' A' ' 44' ' ' LEU . 3.8 mm? -75.63 -43.4 48.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.091 -1.006 . . . . 0.0 110.962 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.4 pt -54.5 -23.51 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.011 -1.055 . . . . 0.0 110.157 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 50' ' ' MET . 52.6 t -78.68 -27.69 45.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.268 -0.895 . . . . 0.0 110.311 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.99 -45.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.295 -0.878 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 49' ' ' VAL . 32.8 pt -74.61 -34.67 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.3 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 45' ' ' ILE . 66.0 t -65.78 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.914 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 46' ' ' CYS . 93.0 mmm -80.71 -10.6 59.72 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.334 -0.854 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.93 -32.4 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.025 -1.047 . . . . 0.0 110.41 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.207 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.774 0.797 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 40.7 p-10 -168.52 -32.56 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.418 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.6 ptpt -112.17 -15.91 13.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.908 -1.12 . . . . 0.0 111.086 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.587 HG13 ' HG2' ' A' ' 5' ' ' GLN . 8.4 p -97.78 -24.41 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.587 ' HG2' HG13 ' A' ' 4' ' ' VAL . 30.9 mm100 -90.93 -58.62 2.41 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.956 -1.09 . . . . 0.0 110.503 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -21.19 66.42 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.17 -0.956 . . . . 0.0 110.57 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 62.7 tp -74.71 -58.62 3.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -55.73 -32.62 63.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 0.0 109.916 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 56.8 ttp180 -52.61 -36.36 56.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.339 -0.851 . . . . 0.0 110.011 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -81.26 -17.12 50.52 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.177 -0.952 . . . . 0.0 110.189 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.69 -36.62 12.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.18 -0.95 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.526 HG23 ' N ' ' A' ' 13' ' ' ARG . 8.3 tp -72.84 -42.1 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.212 -0.93 . . . . 0.0 110.069 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -67.15 -42.35 84.52 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -57.29 -28.77 63.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.332 -0.855 . . . . 0.0 109.908 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.657 ' HA ' HG22 ' A' ' 18' ' ' ILE . . . -98.83 -35.32 10.16 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 79.0 p -75.03 -2.43 27.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.954 -1.092 . . . . 0.0 110.818 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 17' ' ' THR . 96.9 m -124.53 2.33 8.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.07 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.907 HD13 ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -113.99 -29.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.743 ' HG3' HG23 ' A' ' 18' ' ' ILE . 55.2 mt-10 -99.75 -25.87 14.23 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.12 -0.987 . . . . 0.0 110.187 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.544 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 48.3 ttm -139.82 63.87 26.9 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 0.0 109.956 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -81.58 -61.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.685 1.36 . . . . 0.0 110.978 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -57.11 -38.42 73.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 20' ' ' MET . 53.5 tt0 -76.0 -47.36 25.19 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.141 -0.974 . . . . 0.0 110.267 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 20' ' ' MET . . . -52.83 -41.41 64.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 109.379 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.04 -35.59 67.07 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.468 -0.77 . . . . 0.0 109.457 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.41 -51.1 9.83 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.566 -0.709 . . . . 0.0 109.946 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.65 -27.12 67.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.482 -0.761 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.854 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -54.12 -32.86 56.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -58.61 -43.45 89.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.925 . . . . 0.0 110.443 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.477 ' HA ' HG22 ' A' ' 33' ' ' ILE . 43.9 t30 -67.59 -44.92 76.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.975 . . . . 0.0 110.738 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.8 tp -52.84 -31.95 41.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.022 -1.049 . . . . 0.0 110.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -63.55 1.23 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.366 -0.834 . . . . 0.0 109.976 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 30' ' ' ASN . 7.6 tp -53.93 -35.28 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.84 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.6 ' O ' HG22 ' A' ' 38' ' ' ILE . 45.3 t30 -70.13 -52.2 25.47 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.248 -0.907 . . . . 0.0 110.285 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 49.0 t80 -61.88 -31.64 71.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 110.533 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.43 -46.13 74.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 110.747 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -74.1 -47.8 33.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 34' ' ' ASN . 7.6 tp -59.03 -26.32 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.012 -1.055 . . . . 0.0 110.277 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.84 -18.08 63.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.188 -0.945 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 pt -121.96 -21.87 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 110.822 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 45' ' ' ILE . 45.7 t80 -62.8 -26.93 68.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 110.523 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 45' ' ' ILE . 89.8 mt -56.58 -31.19 63.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.149 -0.969 . . . . 0.0 110.439 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 43' ' ' LEU . 2.5 tm? -91.24 -36.37 13.95 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.153 -0.967 . . . . 0.0 108.559 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 44' ' ' LEU . 4.9 tt -54.08 -38.15 64.99 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.447 -0.783 . . . . 0.0 109.583 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 49' ' ' VAL . 33.5 pt -72.92 -27.75 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.292 -0.88 . . . . 0.0 110.18 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' MET . 74.4 m -58.15 -19.79 35.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 0.0 110.758 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 47' ' ' ILE . 1.9 mp -76.24 -57.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.87 ' O ' HD13 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -60.62 -31.8 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.24 -0.912 . . . . 0.0 109.025 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 45' ' ' ILE . 97.7 t -73.46 -31.95 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.354 -0.841 . . . . 0.0 109.188 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 49.2 ttp -59.85 -20.3 56.2 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.476 -0.765 . . . . 0.0 110.66 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.17 12.53 28.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.915 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.018 . . . . 0.0 110.076 179.731 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.901 0.858 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 62.4 t0 -147.57 -44.39 0.17 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.289 0.566 . . . . 0.0 110.088 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -108.84 -21.07 12.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.169 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.01 -26.19 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.927 . . . . 0.0 110.028 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.6 pt20 -78.46 -42.76 28.96 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.192 -0.942 . . . . 0.0 110.825 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.473 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 43.0 m-85 -68.27 -44.19 76.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.898 -1.126 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.671 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.1 tm? -59.29 -49.68 76.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.662 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.0 m -65.45 -38.72 90.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 8.3 tpm_? -54.82 -48.59 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 0.0 109.447 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.0 p -73.99 -18.03 60.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.458 -0.776 . . . . 0.0 109.993 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.32 -14.02 56.02 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.255 -0.903 . . . . 0.0 110.812 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' SER . 60.7 mt -124.12 -33.78 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 O-C-N 121.038 -1.039 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 13' ' ' ARG . 4.7 tmm_? -54.35 -39.79 67.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -75.51 -17.12 60.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.284 -0.885 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.05 10.62 13.09 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.099 -1.0 . . . . 0.0 110.775 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' ILE . 67.7 m -140.11 7.0 2.2 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.097 -1.002 . . . . 0.0 111.811 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -126.42 -25.51 3.46 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.181 -0.949 . . . . 0.0 110.238 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 tp -101.45 -17.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 O-C-N 121.027 -1.045 . . . . 0.0 109.93 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.59 -2.35 7.92 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 49.7 ttm -160.84 63.86 1.9 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.965 . . . . 0.0 109.267 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 20' ' ' MET . 48.6 Cg_endo -83.24 -48.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.828 1.436 . . . . 0.0 110.477 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 84.9 mt-30 -60.09 -48.8 80.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.851 . . . . 0.0 110.348 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.459 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.0 tp-100 -69.92 -51.35 33.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.229 -0.92 . . . . 0.0 110.135 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -51.03 -37.36 44.76 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.992 -1.068 . . . . 0.0 109.703 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -60.39 -43.06 97.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.347 -0.845 . . . . 0.0 109.392 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 98.9 mm-40 -67.93 -55.95 10.85 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 110.09 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -56.97 -31.09 64.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.243 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.9 -29.67 70.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -57.95 -31.68 67.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -60.48 -43.67 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.904 . . . . 0.0 110.635 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.99 -31.67 42.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.952 . . . . 0.0 110.365 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -70.28 -60.77 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.364 -0.835 . . . . 0.0 110.259 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 33' ' ' ILE . 67.6 mt -61.77 -32.28 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.202 -0.936 . . . . 0.0 110.178 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.29 -50.99 71.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.664 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' HA ' HG22 ' A' ' 38' ' ' ILE . 1.1 t80 -57.19 -46.62 82.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.416 -0.802 . . . . 0.0 109.399 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.1 -22.53 64.73 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.265 -0.897 . . . . 0.0 110.331 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 37' ' ' LEU . 6.8 tt -89.98 -45.81 8.94 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.372 -0.83 . . . . 0.0 110.504 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 35' ' ' PHE . 11.5 tt -71.24 -19.07 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.258 -0.901 . . . . 0.0 110.739 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -72.07 -19.24 61.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.307 -0.871 . . . . 0.0 111.124 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 41' ' ' PHE . 27.6 pt -131.39 -36.55 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.926 -1.109 . . . . 0.0 111.012 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.44 ' N ' HG13 ' A' ' 40' ' ' ILE . 49.1 t80 -55.14 -23.69 22.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.443 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 45' ' ' ILE . 51.8 tp -85.11 -62.89 1.43 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.244 -0.91 . . . . 0.0 110.48 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.9 pp -61.58 -13.54 22.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.26 -0.9 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.76 ' N ' HD12 ' A' ' 43' ' ' LEU . 53.5 tp -87.04 -57.04 3.12 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 120.953 -1.092 . . . . 0.0 110.915 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' ' 49' ' ' VAL . 31.9 pt -53.85 -21.88 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.267 -0.896 . . . . 0.0 110.842 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 50' ' ' MET . 51.3 t -59.19 -33.44 70.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.133 -0.979 . . . . 0.0 110.699 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.716 ' N ' HD12 ' A' ' 47' ' ' ILE . 2.1 mp -82.06 -20.66 10.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.3 mt -90.77 -39.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.235 -0.916 . . . . 0.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 50' ' ' MET . 12.0 p -63.93 -41.63 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.232 -0.918 . . . . 0.0 110.348 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.54 ' N ' HG13 ' A' ' 49' ' ' VAL . 92.0 mmm -59.23 -17.45 28.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.08 -1.013 . . . . 0.0 110.655 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.5 mt -97.12 -42.4 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.026 -1.046 . . . . 0.0 110.335 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.248 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.822 0.82 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.02 -41.22 2.55 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.4 0.619 . . . . 0.0 109.655 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -112.77 -29.99 7.22 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.386 -0.821 . . . . 0.0 109.985 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.79 -32.88 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 12.5 pt20 -68.88 -41.27 78.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.914 . . . . 0.0 110.356 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.476 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 6.6 t80 -83.81 -36.23 23.66 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.097 -1.002 . . . . 0.0 109.772 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 7' ' ' LEU . 5.5 tt -55.81 -35.44 66.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 109.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -74.26 -33.14 63.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.096 -1.003 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.74 -35.5 22.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 110.172 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.8 p -63.66 -16.55 61.29 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.472 -0.767 . . . . 0.0 110.054 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.97 -21.69 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.19 -0.944 . . . . 0.0 110.791 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.739 ' N ' HD12 ' A' ' 12' ' ' ILE . 2.6 mp -92.3 -43.36 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.017 -1.052 . . . . 0.0 110.66 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -54.18 -41.22 68.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.044 -1.035 . . . . 0.0 110.125 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -57.52 -19.21 23.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.28 -14.77 21.14 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.156 -0.965 . . . . 0.0 111.111 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -133.88 17.52 3.85 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.995 -1.065 . . . . 0.0 111.081 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.6 m -127.6 -26.84 2.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.141 -0.974 . . . . 0.0 110.567 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -97.03 -17.37 6.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 O-C-N 120.987 -1.071 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -103.22 -31.67 9.99 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 111.16 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.509 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 67.2 mtm -128.78 51.4 7.24 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 20' ' ' MET . 46.1 Cg_endo -73.77 -21.34 18.97 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 O-C-N 123.637 1.336 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 52.5 mm-40 -102.65 -32.76 9.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 53.8 tt0 -83.47 -42.73 16.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.078 -1.013 . . . . 0.0 110.256 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 20' ' ' MET . . . -61.94 -44.7 96.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 109.584 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -59.67 -51.47 69.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.329 -0.857 . . . . 0.0 109.784 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 11.0 mm100 -69.36 -49.89 51.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 20.0 t-20 -49.99 -30.42 10.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.475 -0.766 . . . . 0.0 110.367 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.816 ' O ' HD13 ' A' ' 28' ' ' LEU . 2.1 tm? -54.47 -35.2 62.78 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.355 -0.841 . . . . 0.0 109.428 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -70.12 -31.31 68.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.0 110.491 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.556 ' HA ' HG22 ' A' ' 33' ' ' ILE . 45.2 t30 -59.02 -32.19 69.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 110.5 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.41 -31.34 71.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.206 -0.934 . . . . 0.0 110.273 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.92 -53.02 7.15 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.19 -0.944 . . . . 0.0 110.381 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 30' ' ' ASN . 12.4 tt -63.93 -37.86 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.152 -0.967 . . . . 0.0 109.785 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' N ' HG23 ' A' ' 33' ' ' ILE . 43.7 t30 -62.83 -43.46 98.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 110.236 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.513 ' HA ' HG22 ' A' ' 38' ' ' ILE . 47.3 t80 -55.57 -35.64 65.99 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.3 t -69.2 -29.8 67.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.086 -1.009 . . . . 0.0 109.727 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.691 HD23 ' C ' ' A' ' 37' ' ' LEU . 6.6 tt -80.9 -42.6 21.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.419 -0.801 . . . . 0.0 110.149 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 35' ' ' PHE . 8.3 tp -77.22 -15.77 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 110.431 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' C ' HG23 ' A' ' 40' ' ' ILE . 48.0 tp -62.99 -14.51 48.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.307 -0.871 . . . . 0.0 110.952 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.736 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -150.1 -34.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.886 -1.134 . . . . 0.0 111.373 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.74 ' O ' HG23 ' A' ' 45' ' ' ILE . 48.0 t80 -49.62 -30.83 9.54 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.896 -1.128 . . . . 0.0 110.504 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -58.18 -18.2 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.83 ' N ' HD12 ' A' ' 42' ' ' LEU . 2.9 tm? -93.41 -42.77 9.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.106 -0.996 . . . . 0.0 109.473 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 47' ' ' ILE . 93.4 mt -61.69 -36.73 81.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.665 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 41' ' ' PHE . 28.6 pt -55.97 -23.34 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.271 -0.893 . . . . 0.0 110.932 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.44 -58.11 3.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.913 -1.117 . . . . 0.0 111.238 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.598 HG13 HG23 ' A' ' 48' ' ' ILE . 31.0 pt -62.0 -21.88 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.12 -0.988 . . . . 0.0 111.671 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.763 HG13 HG23 ' A' ' 49' ' ' VAL . 28.7 pt -94.59 -37.05 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.715 -1.241 . . . . 0.0 111.093 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.763 HG23 HG13 ' A' ' 48' ' ' ILE . 94.6 t -87.59 -11.95 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.0 -1.063 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.8 tpt -81.64 -16.46 51.36 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 120.956 -1.09 . . . . 0.0 110.401 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.78 -8.24 41.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.669 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.198 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' HG3' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.734 0.778 . . . . 0.0 109.748 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 3.0 p30 -117.38 -23.46 7.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 15.0 ptmm? -105.09 -37.32 6.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 98.0 t -50.1 -24.96 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.146 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 9' ' ' ARG . 95.3 mm-40 -76.5 -52.21 10.24 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 110.333 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 9.8 m-30 -60.87 -48.08 83.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.143 -0.973 . . . . 0.0 110.788 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' N ' HD22 ' A' ' 7' ' ' LEU . 4.4 mm? -59.11 -48.64 80.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.13 -0.981 . . . . 0.0 109.951 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -67.75 -57.28 6.61 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.281 -0.887 . . . . 0.0 109.742 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 5' ' ' GLN . 47.2 mmt-85 -52.92 -38.5 61.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 109.944 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 93.3 p -71.1 -23.4 62.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.261 -0.899 . . . . 0.0 109.598 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 -33.56 51.69 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.329 -0.857 . . . . 0.0 110.526 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 12' ' ' ILE . 7.0 tp -95.65 -22.8 5.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.157 -0.964 . . . . 0.0 110.335 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' CD ' ' OG1' ' A' ' 17' ' ' THR . 14.2 tpp85 -60.49 -24.11 65.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.213 -0.929 . . . . 0.0 109.881 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 83.6 mtm180 -63.84 -24.03 67.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.366 -0.834 . . . . 0.0 110.113 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.33 -38.01 7.82 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.183 -0.948 . . . . 0.0 110.124 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -73.89 -2.73 25.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -127.05 -2.79 6.43 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.998 -1.064 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 47.9 mm -115.17 -15.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 O-C-N 121.011 -1.056 . . . . 0.0 109.761 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.27 -31.73 12.77 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.25 -0.906 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 80.3 mtp -135.56 51.2 5.25 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.812 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 20' ' ' MET . 45.2 Cg_endo -72.71 -39.52 2.49 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 O-C-N 123.722 1.38 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -73.94 -50.25 20.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 110.533 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -63.09 -52.8 61.26 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.079 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -53.67 -37.7 63.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.965 . . . . 0.0 109.783 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -63.56 -47.88 79.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.939 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -65.35 -54.74 24.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.351 -0.843 . . . . 0.0 110.253 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' HB2' ' OE1' ' A' ' 23' ' ' GLN . 52.7 t-20 -50.38 -36.1 31.16 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.469 -0.769 . . . . 0.0 110.269 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.63 -31.67 37.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.182 -0.948 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -71.17 -15.45 62.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 110.72 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -77.79 -48.36 16.75 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.057 -1.027 . . . . 0.0 110.735 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 58.3 tp -51.88 -29.91 21.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 110.513 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HB3' HD12 ' A' ' 33' ' ' ILE . 6.1 t80 -62.07 -41.37 98.09 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.303 -0.873 . . . . 0.0 110.053 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.735 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.3 mp -83.58 -50.22 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.618 ' O ' HG22 ' A' ' 38' ' ' ILE . 52.9 t-20 -52.86 -34.9 56.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.761 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CE1' HD11 ' A' ' 39' ' ' LEU . 5.7 t80 -65.13 -41.94 94.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 110.011 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.791 ' O ' HD13 ' A' ' 40' ' ' ILE . 53.4 t -81.51 -6.92 59.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.218 -0.927 . . . . 0.0 110.762 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD13 ' O ' ' A' ' 37' ' ' LEU . 2.9 tm? -107.26 -32.71 7.67 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.02 -1.05 . . . . 0.0 109.332 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 34' ' ' ASN . 8.5 tp -72.84 -37.1 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 110.232 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 35' ' ' PHE . 90.3 mt -68.53 -23.11 64.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.968 . . . . 0.0 110.813 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 36' ' ' CYS . 2.1 mp -96.7 -34.54 5.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.041 -1.037 . . . . 0.0 110.34 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.67 -45.4 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 110.641 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.742 HD12 ' N ' ' A' ' 43' ' ' LEU . 4.0 pp -61.37 -15.74 39.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 110.99 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 43' ' ' LEU . 5.5 tt -92.47 -37.42 12.54 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.07 -1.019 . . . . 0.0 109.681 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 48' ' ' ILE . 90.5 mt -69.36 -46.12 67.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 110.724 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' HD11 ' A' ' 48' ' ' ILE . 31.2 pt -58.44 -27.24 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.819 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.0 t -77.38 -28.56 52.87 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.119 -0.988 . . . . 0.0 111.056 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 44' ' ' LEU . 34.6 pt -96.9 3.9 9.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.05 -1.031 . . . . 0.0 111.391 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.64 HG13 HG23 ' A' ' 49' ' ' VAL . 31.8 pt -117.59 -26.0 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.841 -1.162 . . . . 0.0 110.179 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.64 HG23 HG13 ' A' ' 48' ' ' ILE . 91.9 t -91.31 -29.66 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 110.182 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ptm -64.93 -17.57 64.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.12 -0.988 . . . . 0.0 110.213 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.686 ' C ' HD12 ' A' ' 51' ' ' LEU . 2.6 pp -121.96 19.37 10.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 110.45 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 C--N 1.304 -1.398 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.008 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' HG3' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.462 0.648 . . . . 0.0 110.204 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -119.65 -8.99 9.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.892 -1.13 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -112.42 -31.78 6.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 0.0 110.628 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.06 -22.44 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.155 -0.966 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -81.57 -67.11 0.81 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.189 -0.944 . . . . 0.0 110.644 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.433 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 9.8 m-30 -53.96 -31.86 51.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.255 -0.903 . . . . 0.0 110.704 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' ALA . 57.2 tp -71.72 -56.6 5.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -58.01 -43.08 86.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.293 -0.879 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.65 -23.6 4.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.21 -0.931 . . . . 0.0 110.443 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -121.87 -8.86 8.86 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.316 -0.865 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' HD13 ' A' ' 12' ' ' ILE . . . -95.32 -13.04 25.12 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.005 -1.059 . . . . 0.0 110.843 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 11' ' ' ALA . 46.1 mm -130.38 -33.8 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 121.015 -1.053 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.44 -57.11 10.18 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.883 -1.136 . . . . 0.0 109.827 -179.731 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.501 ' O ' HG21 ' A' ' 18' ' ' ILE . 17.1 ptm180 -85.15 9.94 13.57 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.127 -0.983 . . . . 0.0 110.64 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.89 -14.76 8.0 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 121.094 -1.004 . . . . 0.0 110.757 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -131.92 0.29 3.86 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.976 -1.077 . . . . 0.0 111.79 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 17' ' ' THR . 86.4 m -125.7 1.55 7.49 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.175 -0.953 . . . . 0.0 110.015 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.918 HD13 ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.73 -27.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 108.767 179.085 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' A' ' 19' ' ' GLU . 44.4 tp10 -103.46 -31.05 10.17 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.19 -0.944 . . . . 0.0 110.473 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -132.82 59.57 43.89 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.304 -0.873 . . . . 0.0 110.439 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.4 -34.17 6.19 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.699 1.368 . . . . 0.0 110.209 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.24 -38.78 30.32 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -74.27 -51.55 14.96 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.266 -0.896 . . . . 0.0 109.906 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.96 -43.02 60.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -68.16 -28.99 67.77 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.373 -0.829 . . . . 0.0 108.941 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 4.3 tp-100 -75.9 -61.79 1.81 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.665 -0.647 . . . . 0.0 109.796 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.508 ' OD1' ' ND2' ' A' ' 30' ' ' ASN . 42.2 t30 -50.11 -30.13 10.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.521 -0.737 . . . . 0.0 110.617 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.04 -25.39 2.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.884 . . . . 0.0 110.706 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -56.21 -21.34 22.59 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.214 -0.929 . . . . 0.0 110.492 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.508 ' ND2' ' OD1' ' A' ' 27' ' ' ASN . 50.4 m-20 -54.45 -39.19 67.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.485 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 58.9 tp -55.23 -32.16 62.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -59.2 2.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.249 -0.907 . . . . 0.0 110.283 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 30' ' ' ASN . 10.9 tt -56.86 -23.04 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.22 -0.925 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -74.72 -62.6 1.48 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.218 -0.927 . . . . 0.0 110.344 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 13.1 m-30 -56.95 -18.75 14.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.869 . . . . 0.0 110.761 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.53 -40.74 20.58 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.977 -1.077 . . . . 0.0 110.606 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.8 mt -84.42 -35.42 23.09 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 110.875 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.8 mm -68.0 -34.05 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.765 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 35' ' ' PHE . 93.3 mt -78.04 -18.86 55.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 110.777 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.9 mt -105.5 -33.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.104 -0.997 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.56 -40.05 86.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.204 -0.935 . . . . 0.0 110.471 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.24 -43.79 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 109.799 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 46' ' ' CYS . 59.5 tp -74.23 -31.63 62.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.279 -0.888 . . . . 0.0 109.961 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 44' ' ' LEU . 2.7 tm? -63.62 -54.1 41.11 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.259 -0.9 . . . . 0.0 110.212 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.7 pt -60.11 -22.88 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.127 -0.983 . . . . 0.0 110.731 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 53.6 t -57.16 -39.51 75.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.721 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.71 ' O ' HD13 ' A' ' 51' ' ' LEU . 63.1 mt -59.32 -22.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.154 -0.966 . . . . 0.0 110.654 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.2 mt -92.02 -29.56 4.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.282 -0.886 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.3 t -73.11 -39.28 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.28 -0.888 . . . . 0.0 110.31 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.668 ' C ' HD12 ' A' ' 51' ' ' LEU . 83.9 mtp -62.24 -20.1 63.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 110.492 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.739 ' N ' HD12 ' A' ' 51' ' ' LEU . 6.7 mp -110.46 -57.9 2.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.068 -1.02 . . . . 0.0 110.292 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.729 ' N ' HD12 ' A' ' 52' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.124 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptp . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.838 0.828 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 2.7 p30 -167.39 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.616 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.4 ptpt -113.84 -25.47 8.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.871 -1.143 . . . . 0.0 110.305 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.04 -23.61 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -77.95 -58.4 3.28 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.232 -0.918 . . . . 0.0 110.022 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 47.6 t80 -59.26 -33.25 70.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.196 -0.94 . . . . 0.0 110.065 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.83 -52.66 62.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 110.167 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -68.47 -25.58 65.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.227 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 10.9 tpt180 -48.46 -33.56 9.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.36 -0.837 . . . . 0.0 110.01 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -64.21 -28.17 69.56 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.502 -0.749 . . . . 0.0 109.601 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.63 -31.72 32.28 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.276 -0.89 . . . . 0.0 109.852 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -71.08 -50.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -61.77 -21.02 64.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 0.0 110.393 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 tpt85 -63.8 -22.57 66.98 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.16 -0.963 . . . . 0.0 109.728 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.16 -24.58 6.93 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.327 -0.858 . . . . 0.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 t -95.84 23.66 6.11 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.182 -0.949 . . . . 0.0 110.925 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.3 m -127.77 -11.78 5.46 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.114 -0.991 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.04 -28.87 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.035 -1.041 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -116.61 -18.67 10.27 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.306 -0.871 . . . . 0.0 110.41 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.533 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.1 tpt -63.22 -43.79 81.61 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.943 . . . . 0.0 111.232 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 20' ' ' MET . 45.3 Cg_endo -74.78 -49.28 0.16 Allowed 'Trans proline' 0 C--N 1.319 -1.01 0 O-C-N 122.877 0.935 . . . . 0.0 110.147 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -57.16 -32.11 66.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 109.652 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.42 -42.08 17.38 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.404 -0.81 . . . . 0.0 109.914 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.49 -41.04 63.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.09 -50.31 73.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.458 -0.777 . . . . 0.0 109.291 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.07 -53.9 11.46 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.446 -0.784 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -54.58 -20.47 8.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.497 -0.752 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 28' ' ' LEU . 5.6 tt -50.59 -32.79 19.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -0.988 . . . . 0.0 109.761 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 30' ' ' ASN . 19.2 pt20 -54.06 -37.09 63.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.109 -0.995 . . . . 0.0 109.505 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 74.9 m-20 -78.28 -39.67 39.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.45 -0.781 . . . . 0.0 110.255 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -53.27 -33.89 55.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 109.752 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -58.52 -61.43 2.6 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.42 -0.8 . . . . 0.0 109.799 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -68.15 -37.13 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.402 -0.811 . . . . 0.0 109.942 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -55.3 -45.14 76.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.148 -0.97 . . . . 0.0 109.331 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.42 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 5.8 t80 -62.97 -28.85 70.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.451 -0.781 . . . . 0.0 109.091 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.446 ' CA ' HD22 ' A' ' 39' ' ' LEU . 75.7 m -96.31 1.94 52.38 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.462 -0.774 . . . . 0.0 110.536 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 42' ' ' LEU . 50.9 tp -118.42 -12.08 9.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.088 -1.007 . . . . 0.0 110.939 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.755 ' HA ' HD23 ' A' ' 42' ' ' LEU . 50.7 mm -114.24 -20.86 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.919 -1.113 . . . . 0.0 110.07 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 39' ' ' LEU . 2.2 pt? -55.63 -17.18 5.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.348 -0.845 . . . . 0.0 111.181 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.569 HG22 ' HG ' ' A' ' 39' ' ' LEU . 10.4 tt -167.04 -31.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.747 -1.22 . . . . 0.0 112.706 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 58.4 m-85 -58.83 -18.16 30.04 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.616 -1.302 . . . . 0.0 111.428 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 38' ' ' ILE . 4.3 mm? -93.49 -18.23 22.52 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.823 -1.173 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 57.8 tp -90.74 -50.37 5.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.265 -0.897 . . . . 0.0 109.939 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 44' ' ' LEU . 4.6 tt -56.46 -41.56 76.72 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.261 -0.9 . . . . 0.0 110.054 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.913 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -54.48 -27.61 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.155 -0.966 . . . . 0.0 110.032 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.563 ' HA ' HG22 ' A' ' 49' ' ' VAL . 41.9 t -75.89 -14.18 60.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.047 -1.033 . . . . 0.0 111.266 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 44' ' ' LEU . 1.8 mp -77.68 -27.1 15.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.93 -1.107 . . . . 0.0 110.031 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 45' ' ' ILE . 40.6 pt -93.31 -25.45 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 45' ' ' ILE . 19.3 m -73.71 -35.46 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.031 -1.043 . . . . 0.0 109.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.443 ' HG2' HG23 ' A' ' 49' ' ' VAL . 92.8 mmm -73.07 -16.04 61.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.442 -0.786 . . . . 0.0 110.963 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -122.88 -48.23 2.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 110.692 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' ILE . 84.1 mt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.435 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 tpp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.085 0.469 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.27 -0.57 12.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.874 -1.141 . . . . 0.0 110.389 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 19.3 ptpt -113.3 -30.36 6.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.91 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 4' ' ' VAL . 8.2 p -83.19 -13.66 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 0.0 110.108 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -80.36 -69.57 0.58 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.227 -0.92 . . . . 0.0 110.193 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 9.9 m-30 -58.56 -35.12 71.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 64.6 tp -56.28 -45.04 80.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 91.1 m -70.05 -34.07 72.76 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.35 -0.844 . . . . 0.0 110.426 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -51.21 -40.82 59.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.114 -0.991 . . . . 0.0 109.969 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -64.76 -20.69 66.5 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.385 -0.822 . . . . 0.0 109.502 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -82.08 -21.75 36.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.241 -0.912 . . . . 0.0 110.107 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.57 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.329 -0.857 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 11.2 tpt180 -53.71 -39.95 65.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.751 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 50.4 ttt-85 -53.43 -29.83 37.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 110.676 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.24 -34.66 9.15 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.171 -0.955 . . . . 0.0 111.199 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 82.8 p -76.45 -0.18 22.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.035 -1.041 . . . . 0.0 111.121 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 17' ' ' THR . 86.8 m -125.1 14.01 8.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 109.814 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 46.9 mm -123.68 -24.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.371 -0.83 . . . . 0.0 110.24 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -118.54 -13.29 9.7 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.09 -1.006 . . . . 0.0 110.661 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.542 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 57.2 ttp -56.98 -43.35 99.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 0.0 111.9 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 20' ' ' MET . 43.1 Cg_endo -72.81 -39.83 2.23 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 122.847 0.92 . . . . 0.0 110.589 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -69.05 -33.99 74.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.1 tp-100 -83.28 -41.81 17.89 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.294 -0.878 . . . . 0.0 110.029 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.3 65.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 109.4 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.41 -43.11 79.02 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.414 -0.804 . . . . 0.0 109.327 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -72.32 -49.94 30.72 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.589 -0.695 . . . . 0.0 109.803 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -61.82 -19.07 62.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.551 -0.718 . . . . 0.0 110.439 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.29 -39.51 67.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.117 -0.99 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -64.76 -37.31 87.16 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.275 -0.891 . . . . 0.0 110.022 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.88 -33.96 72.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.363 -0.836 . . . . 0.0 110.134 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.47 -27.27 65.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.386 -0.821 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -81.83 -33.15 30.85 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.191 -0.943 . . . . 0.0 110.384 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.0 mt -79.66 -42.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.216 -0.927 . . . . 0.0 110.43 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -63.94 -48.26 77.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.855 . . . . 0.0 110.462 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.539 ' HA ' HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -59.14 -48.89 79.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 109.758 -179.773 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.14 -25.99 62.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.007 -1.058 . . . . 0.0 109.691 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD23 ' C ' ' A' ' 37' ' ' LEU . 6.4 tt -80.8 -52.6 7.33 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.459 -0.776 . . . . 0.0 109.805 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' PHE . 9.2 tp -69.61 -14.54 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.22 -0.925 . . . . 0.0 110.773 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 tp -71.62 -24.89 61.96 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.184 -0.947 . . . . 0.0 111.563 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.536 ' C ' HD23 ' A' ' 42' ' ' LEU . 26.2 pt -128.97 -38.41 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.741 -1.224 . . . . 0.0 111.104 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' HA ' HD23 ' A' ' 44' ' ' LEU . 42.6 m-85 -66.08 -14.93 62.58 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 110.498 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 42' ' ' LEU . 2.7 pt? -55.93 -34.15 65.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.943 -1.098 . . . . 0.0 109.683 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 61.5 tp -78.78 -26.9 44.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.059 -1.025 . . . . 0.0 110.207 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.667 ' N ' HD22 ' A' ' 44' ' ' LEU . 3.7 mm? -75.29 -44.75 43.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.453 -0.78 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HA ' HD11 ' A' ' 48' ' ' ILE . 29.8 pt -65.81 -22.82 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.111 -0.993 . . . . 0.0 110.089 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.11 -52.44 7.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 111.562 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 51' ' ' LEU . 33.7 pt -55.1 -22.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.876 -1.14 . . . . 0.0 110.97 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.674 HG13 HG23 ' A' ' 49' ' ' VAL . 34.6 pt -92.23 -31.81 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.044 -1.035 . . . . 0.0 110.5 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.674 HG23 HG13 ' A' ' 48' ' ' ILE . 98.3 t -91.64 -38.92 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 110.225 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mmt -63.58 -24.28 67.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 110.347 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 47' ' ' ILE . 90.4 mt -97.29 -7.22 32.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.362 -0.836 . . . . 0.0 110.567 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.088 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG3' ' CG2' ' A' ' 4' ' ' VAL . 51.9 ttp . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.539 0.685 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 12.0 p-10 -169.36 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 109.914 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' NZ ' HD11 ' A' ' 7' ' ' LEU . 57.0 tttm -86.34 -35.59 19.75 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.401 -0.812 . . . . 0.0 110.327 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 1' ' ' MET . 27.8 m -64.44 -24.29 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -72.5 -53.93 10.67 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.413 -0.804 . . . . 0.0 110.305 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 2' ' ' ASP . 42.7 m-85 -58.58 -47.92 82.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.079 -1.013 . . . . 0.0 110.083 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.488 HD11 ' NZ ' ' A' ' 3' ' ' LYS . 93.3 mt -56.62 -42.01 78.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.143 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -64.37 -55.35 21.74 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.941 . . . . 0.0 109.874 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 41.2 ttm-85 -51.94 -34.56 42.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.279 -0.888 . . . . 0.0 109.877 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 48.0 t -76.13 -16.15 59.94 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.893 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.33 -40.96 8.87 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 121.302 -0.874 . . . . 0.0 109.984 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 13' ' ' ARG . 7.4 tp -63.69 -38.2 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.298 -0.876 . . . . 0.0 110.215 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' N ' HG23 ' A' ' 12' ' ' ILE . 20.3 mmt85 -64.79 -23.35 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.054 -1.028 . . . . 0.0 110.215 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.778 ' HA ' HD13 ' A' ' 18' ' ' ILE . 44.2 mmt-85 -77.03 -17.85 58.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 110.493 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.16 0.96 16.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.144 -0.972 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.0 p -123.73 -6.0 8.03 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.025 -1.047 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.608 ' C ' HD12 ' A' ' 18' ' ' ILE . 95.2 m -125.57 -14.99 6.2 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.331 -0.856 . . . . 0.0 110.038 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.778 HD13 ' HA ' ' A' ' 14' ' ' ARG . 2.5 mp -107.71 -10.5 10.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.17 -0.956 . . . . 0.0 109.704 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -118.79 -31.43 4.81 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.019 -1.051 . . . . 0.0 110.462 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 83.3 mtp -141.12 65.82 23.36 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.224 -0.923 . . . . 0.0 110.389 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -87.01 -80.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.669 1.352 . . . . 0.0 111.013 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.2 pt20 -56.73 -24.67 51.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 111.029 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -82.4 -62.07 1.72 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.91 -1.119 . . . . 0.0 110.345 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 20' ' ' MET . . . -50.38 -39.49 46.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.955 -1.09 . . . . 0.0 110.224 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.97 -55.59 18.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.214 -0.929 . . . . 0.0 110.119 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 13.4 mm100 -64.86 -50.82 65.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.337 -0.852 . . . . 0.0 110.291 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -55.15 -35.0 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.479 -0.763 . . . . 0.0 111.164 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 28' ' ' LEU . 5.7 tt -56.08 -33.95 65.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.817 -1.177 . . . . 0.0 109.785 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.54 -37.63 22.76 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.245 -0.91 . . . . 0.0 110.226 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -53.42 -33.32 53.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.0 110.194 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.917 HD12 ' CE1' ' A' ' 35' ' ' PHE . 57.8 tp -58.37 -32.13 68.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.278 -0.889 . . . . 0.0 110.083 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -78.55 -40.55 34.57 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.365 -0.834 . . . . 0.0 110.949 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.1 mp -81.12 -45.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.033 -1.042 . . . . 0.0 109.928 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -53.01 -37.37 61.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.254 -0.904 . . . . 0.0 109.96 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.917 ' CE1' HD12 ' A' ' 31' ' ' LEU . 10.0 m-85 -84.14 -21.3 31.42 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.343 -0.848 . . . . 0.0 109.695 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.3 -37.52 37.54 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.774 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 tp -72.52 -51.53 19.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.375 -0.828 . . . . 0.0 110.182 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 39' ' ' LEU . 7.1 tp -56.57 -39.6 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.338 -0.851 . . . . 0.0 110.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.613 HD23 ' C ' ' A' ' 39' ' ' LEU . 4.9 tt -59.0 -52.65 64.86 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.296 -0.877 . . . . 0.0 109.452 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.49 -44.02 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -53.4 -48.85 68.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.793 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.8 tt -54.55 -41.57 69.92 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.309 -0.869 . . . . 0.0 109.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.97 -51.53 69.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.265 -0.897 . . . . 0.0 111.487 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.583 ' N ' HD22 ' A' ' 44' ' ' LEU . 4.1 mm? -65.47 -49.24 69.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 111.303 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 45' ' ' ILE . 1.8 mp -72.41 -1.96 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 111.251 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 49' ' ' VAL . 40.9 t -93.82 -28.77 15.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.706 -1.246 . . . . 0.0 110.676 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.06 -13.98 17.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.156 -0.965 . . . . 0.0 110.868 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 49' ' ' VAL . 8.6 tp -99.03 -36.56 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.095 -1.003 . . . . 0.0 110.684 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 46' ' ' CYS . 14.3 p -75.58 -30.67 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.129 -0.982 . . . . 0.0 110.514 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 mmt -74.66 -2.33 25.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -106.8 12.5 28.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 110.661 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.019 -1.051 . . . . 0.0 110.147 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.93 0.871 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.57 -39.8 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.286 0.565 . . . . 0.0 109.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 64.4 pttt -110.3 -35.42 6.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.894 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 8.1 p -64.59 -12.68 13.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.79 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 3.0 pt20 -75.2 -45.89 37.57 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.053 -1.029 . . . . 0.0 111.179 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 11.3 p90 -87.11 -34.12 19.22 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.705 -1.247 . . . . 0.0 109.207 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.54 ' HG ' ' CE1' ' A' ' 6' ' ' TYR . 83.2 mt -57.94 -40.59 80.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.035 -1.041 . . . . 0.0 109.61 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -70.53 -41.63 72.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.175 -0.953 . . . . 0.0 110.185 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.69 -42.34 64.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.048 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.49 -8.78 58.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.437 -0.79 . . . . 0.0 110.507 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.707 ' C ' HD12 ' A' ' 12' ' ' ILE . . . -78.36 -30.98 48.28 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.976 -1.077 . . . . 0.0 110.986 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 12' ' ' ILE . 2.4 mp -112.92 -39.5 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 120.966 -1.084 . . . . 0.0 110.799 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 17' ' ' THR . 18.6 mmt85 -65.24 -45.67 83.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 110.48 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.3 mtp-105 -91.38 27.21 2.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.072 -1.018 . . . . 0.0 110.35 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.7 -40.04 0.23 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.312 -0.867 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -97.5 1.56 49.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.282 -0.886 . . . . 0.0 111.709 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 88.2 m -124.73 -12.27 7.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.121 -0.987 . . . . 0.0 110.562 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.741 HG23 ' HG2' ' A' ' 19' ' ' GLU . 7.4 tp -110.3 -19.62 6.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.023 -1.048 . . . . 0.0 109.862 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.741 ' HG2' HG23 ' A' ' 18' ' ' ILE . 67.6 mm-40 -103.03 -20.03 14.35 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.112 -0.993 . . . . 0.0 110.465 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 24.6 ptm -144.27 55.37 3.33 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 110.436 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 20' ' ' MET . 44.1 Cg_endo -71.36 -29.14 17.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.661 1.348 . . . . 0.0 109.992 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 26.0 mt-30 -86.05 -32.7 21.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 110.047 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.3 tp-100 -82.21 -48.1 11.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.269 -0.894 . . . . 0.0 109.876 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.83 66.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.359 -0.838 . . . . 0.0 110.002 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.57 -45.16 89.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 109.988 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 97.2 mm-40 -69.51 -45.07 69.77 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.321 -0.862 . . . . 0.0 110.022 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.66 -41.86 87.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.436 -0.79 . . . . 0.0 110.646 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 tp -51.39 -25.08 5.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.231 -0.918 . . . . 0.0 110.353 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.66 -29.1 51.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.5 m120 -59.78 -30.57 68.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 110.601 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.7 -29.01 70.29 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.093 -1.004 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -73.74 -53.07 11.17 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.4 -0.813 . . . . 0.0 110.91 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.785 HD13 ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.65 -37.43 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.115 -0.99 . . . . 0.0 110.169 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.6 -54.6 33.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.953 -1.092 . . . . 0.0 109.99 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 47.5 t80 -59.42 -46.11 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.0 110.157 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.84 -39.75 82.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.11 -0.994 . . . . 0.0 109.618 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 41' ' ' PHE . 2.5 tm? -63.48 -55.18 26.16 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.424 -0.798 . . . . 0.0 109.123 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.1 tp -67.91 -23.49 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.67 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.3 tp -79.75 -32.6 41.06 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.257 -0.902 . . . . 0.0 111.581 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 40' ' ' ILE . 62.0 mt -96.31 -28.15 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.901 -1.124 . . . . 0.0 111.727 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.653 ' CE1' HD22 ' A' ' 37' ' ' LEU . 9.8 m-85 -82.4 -24.67 34.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 111.029 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -59.8 -21.25 60.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.821 -1.174 . . . . 0.0 109.829 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.88 ' N ' HD12 ' A' ' 42' ' ' LEU . 62.4 tp -88.73 -37.76 15.24 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.288 -0.882 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.19 -45.29 85.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.868 . . . . 0.0 110.935 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 pt -55.18 -20.72 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.692 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 50' ' ' MET . 53.6 t -82.36 -26.55 32.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 110.859 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.93 -40.93 88.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.184 -0.948 . . . . 0.0 111.287 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 49' ' ' VAL . 28.7 pt -79.06 -34.97 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.023 -1.048 . . . . 0.0 111.06 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.423 ' N ' HG13 ' A' ' 48' ' ' ILE . 64.6 t -72.62 -31.46 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.152 -0.968 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 46' ' ' CYS . 26.3 mmt -83.45 -1.96 54.77 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.078 -1.014 . . . . 0.0 111.254 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.88 -38.69 2.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.011 -1.055 . . . . 0.0 110.337 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.141 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 1' ' ' MET . 47.2 tpp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.15 0.5 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -117.37 -6.42 11.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.957 -1.089 . . . . 0.0 110.661 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -103.51 -34.22 8.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.093 -1.004 . . . . 0.0 109.911 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.15 -49.93 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.4 pt20 -54.71 -34.35 62.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.113 -0.992 . . . . 0.0 109.658 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.442 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -72.2 -57.88 3.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 0.0 109.744 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -56.81 -32.91 66.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.433 -0.792 . . . . 0.0 110.185 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.4 m -70.27 -48.4 56.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.697 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -49.88 -33.24 16.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.16 -0.962 . . . . 0.0 109.937 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -78.66 -24.51 45.1 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.55 -0.719 . . . . 0.0 109.725 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.97 -50.01 9.63 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.423 -0.798 . . . . 0.0 110.168 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 13' ' ' ARG . 6.9 tp -58.92 -37.46 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 12' ' ' ILE . 45.7 ttm-85 -53.05 -23.01 6.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.436 -0.79 . . . . 0.0 109.761 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 4.9 mtp-105 -61.51 -41.06 96.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.913 . . . . 0.0 109.481 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.34 -19.74 13.6 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -89.89 19.56 4.75 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.226 -0.921 . . . . 0.0 110.74 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.415 ' OG1' ' HG3' ' A' ' 13' ' ' ARG . 96.2 m -127.17 -15.99 5.12 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.231 -0.918 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.417 ' H ' HG22 ' A' ' 18' ' ' ILE . 7.3 tp -94.32 -19.33 6.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 120.895 -1.128 . . . . 0.0 109.593 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 23' ' ' GLN . 16.3 pt-20 -122.72 10.84 9.69 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.297 -0.877 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.539 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 49.1 ttm -55.27 -43.72 99.25 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 0.0 112.043 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 20' ' ' MET . 42.9 Cg_endo -72.09 -34.78 7.8 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 122.894 0.944 . . . . 0.0 110.943 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 85.4 mt-30 -91.11 -8.37 49.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 110.681 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.1 tp-100 -100.08 -41.57 7.09 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.124 -0.985 . . . . 0.0 109.845 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.31 82.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.24 -0.912 . . . . 0.0 109.353 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 3.5 ttm105 -55.67 -33.49 64.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 12.4 mm100 -75.8 -54.87 6.26 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.578 -0.701 . . . . 0.0 109.554 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' ND2' ' HG3' ' A' ' 23' ' ' GLN . 75.5 m-20 -59.74 -34.73 73.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.466 -0.771 . . . . 0.0 110.663 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.01 -28.13 9.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 110.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 3.7 mm100 -70.73 -58.1 3.99 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.397 -0.814 . . . . 0.0 110.209 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' HA ' HG22 ' A' ' 33' ' ' ILE . 5.3 m120 -54.65 -33.42 60.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -0.892 . . . . 0.0 110.22 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.65 -33.29 66.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.25 -0.906 . . . . 0.0 110.031 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -73.75 -63.97 1.1 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.26 -41.66 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.354 -0.842 . . . . 0.0 109.795 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.596 ' OD1' HD13 ' A' ' 38' ' ' ILE . 21.7 t-20 -63.83 -51.23 65.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.284 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 49.0 t80 -49.86 -24.42 2.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.206 -0.934 . . . . 0.0 110.566 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -94.33 -13.91 25.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 0.0 110.809 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 tp -91.06 -40.11 11.81 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.702 ' N ' HD12 ' A' ' 38' ' ' ILE . 2.1 mp -78.34 -43.42 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.02 . . . . 0.0 109.531 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 39' ' ' LEU . 5.1 tt -50.94 -41.22 58.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 0.0 109.668 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 41' ' ' PHE . 28.0 pt -84.59 -38.06 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.374 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.462 ' N ' HG13 ' A' ' 40' ' ' ILE . 49.4 t80 -51.88 -38.31 55.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 110.16 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 85.3 mt -63.04 -17.31 62.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 110.74 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.26 -36.78 16.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.119 -0.988 . . . . 0.0 110.846 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 44' ' ' LEU . 3.8 mm? -75.63 -43.4 48.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.091 -1.006 . . . . 0.0 110.962 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.4 pt -54.5 -23.51 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.011 -1.055 . . . . 0.0 110.157 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 50' ' ' MET . 52.6 t -78.68 -27.69 45.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.268 -0.895 . . . . 0.0 110.311 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.99 -45.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.295 -0.878 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 49' ' ' VAL . 32.8 pt -74.61 -34.67 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.3 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 45' ' ' ILE . 66.0 t -65.78 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.914 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 46' ' ' CYS . 93.0 mmm -80.71 -10.6 59.72 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.334 -0.854 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.93 -32.4 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.025 -1.047 . . . . 0.0 110.41 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.207 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.774 0.797 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 40.7 p-10 -168.52 -32.56 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.418 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.6 ptpt -112.17 -15.91 13.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.908 -1.12 . . . . 0.0 111.086 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.587 HG13 ' HG2' ' A' ' 5' ' ' GLN . 8.4 p -97.78 -24.41 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.587 ' HG2' HG13 ' A' ' 4' ' ' VAL . 98.7 mm-40 -90.93 -58.62 2.41 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.956 -1.09 . . . . 0.0 110.503 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -21.19 66.42 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.17 -0.956 . . . . 0.0 110.57 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 62.7 tp -74.71 -58.62 3.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -55.73 -32.62 63.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 0.0 109.916 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 56.8 ttp180 -52.61 -36.36 56.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.339 -0.851 . . . . 0.0 110.011 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -81.26 -17.12 50.52 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.177 -0.952 . . . . 0.0 110.189 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.69 -36.62 12.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.18 -0.95 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.526 HG23 ' N ' ' A' ' 13' ' ' ARG . 8.3 tp -72.84 -42.1 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.212 -0.93 . . . . 0.0 110.069 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -67.15 -42.35 84.52 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -57.29 -28.77 63.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.332 -0.855 . . . . 0.0 109.908 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.657 ' HA ' HG22 ' A' ' 18' ' ' ILE . . . -98.83 -35.32 10.16 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 79.0 p -75.03 -2.43 27.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.954 -1.092 . . . . 0.0 110.818 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.485 ' O ' HG22 ' A' ' 17' ' ' THR . 96.9 m -124.53 2.33 8.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.07 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.907 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -113.99 -29.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.743 ' HG3' HG23 ' A' ' 18' ' ' ILE . 55.2 mt-10 -99.75 -25.87 14.23 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.12 -0.987 . . . . 0.0 110.187 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.544 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 48.3 ttm -139.82 63.87 26.9 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 0.0 109.956 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -81.58 -61.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.685 1.36 . . . . 0.0 110.978 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -57.11 -38.42 73.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 20' ' ' MET . 53.5 tt0 -76.0 -47.36 25.19 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.141 -0.974 . . . . 0.0 110.267 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 20' ' ' MET . . . -52.83 -41.41 64.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 109.379 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.04 -35.59 67.07 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.468 -0.77 . . . . 0.0 109.457 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.41 -51.1 9.83 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.566 -0.709 . . . . 0.0 109.946 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.65 -27.12 67.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.482 -0.761 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.854 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -54.12 -32.86 56.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -58.61 -43.45 89.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.925 . . . . 0.0 110.443 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.477 ' HA ' HG22 ' A' ' 33' ' ' ILE . 43.9 t30 -67.59 -44.92 76.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.975 . . . . 0.0 110.738 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.8 tp -52.84 -31.95 41.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.022 -1.049 . . . . 0.0 110.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -63.55 1.23 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.366 -0.834 . . . . 0.0 109.976 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 30' ' ' ASN . 7.6 tp -53.93 -35.28 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.84 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.6 ' O ' HG22 ' A' ' 38' ' ' ILE . 45.3 t30 -70.13 -52.2 25.47 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.248 -0.907 . . . . 0.0 110.285 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 49.0 t80 -61.88 -31.64 71.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 110.533 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.43 -46.13 74.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 110.747 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -74.1 -47.8 33.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 34' ' ' ASN . 7.6 tp -59.03 -26.32 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.012 -1.055 . . . . 0.0 110.277 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.84 -18.08 63.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.188 -0.945 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 pt -121.96 -21.87 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 110.822 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 45' ' ' ILE . 45.7 t80 -62.8 -26.93 68.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 110.523 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 45' ' ' ILE . 89.8 mt -56.58 -31.19 63.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.149 -0.969 . . . . 0.0 110.439 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 43' ' ' LEU . 2.5 tm? -91.24 -36.37 13.95 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.153 -0.967 . . . . 0.0 108.559 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.778 ' O ' HD23 ' A' ' 44' ' ' LEU . 4.9 tt -54.08 -38.15 64.99 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.447 -0.783 . . . . 0.0 109.583 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 49' ' ' VAL . 33.5 pt -72.92 -27.75 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.292 -0.88 . . . . 0.0 110.18 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' MET . 74.4 m -58.15 -19.79 35.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 0.0 110.758 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.669 HD12 ' N ' ' A' ' 47' ' ' ILE . 1.9 mp -76.24 -57.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.87 HD13 ' O ' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -60.62 -31.8 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.24 -0.912 . . . . 0.0 109.025 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 45' ' ' ILE . 97.7 t -73.46 -31.95 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.354 -0.841 . . . . 0.0 109.188 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 49.2 ttp -59.85 -20.3 56.2 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.476 -0.765 . . . . 0.0 110.66 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.17 12.53 28.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.915 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.018 . . . . 0.0 110.076 179.731 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.901 0.858 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 62.4 t0 -147.57 -44.39 0.17 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.289 0.566 . . . . 0.0 110.088 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -108.84 -21.07 12.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.169 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.01 -26.19 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.927 . . . . 0.0 110.028 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.6 pt20 -78.46 -42.76 28.96 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.192 -0.942 . . . . 0.0 110.825 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.473 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 43.0 m-85 -68.27 -44.19 76.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.898 -1.126 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.671 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.1 tm? -59.29 -49.68 76.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.662 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.0 m -65.45 -38.72 90.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.548 ' NE ' ' HA ' ' A' ' 9' ' ' ARG . 8.3 tpm_? -54.82 -48.59 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 0.0 109.447 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.0 p -73.99 -18.03 60.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.458 -0.776 . . . . 0.0 109.993 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.32 -14.02 56.02 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.255 -0.903 . . . . 0.0 110.812 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' SER . 60.7 mt -124.12 -33.78 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 O-C-N 121.038 -1.039 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 4.7 tmm_? -54.35 -39.79 67.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -75.51 -17.12 60.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.284 -0.885 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.05 10.62 13.09 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.099 -1.0 . . . . 0.0 110.775 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' ILE . 67.7 m -140.11 7.0 2.2 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.097 -1.002 . . . . 0.0 111.811 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -126.42 -25.51 3.46 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.181 -0.949 . . . . 0.0 110.238 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 tp -101.45 -17.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 O-C-N 121.027 -1.045 . . . . 0.0 109.93 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.59 -2.35 7.92 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 49.7 ttm -160.84 63.86 1.9 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.965 . . . . 0.0 109.267 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 20' ' ' MET . 48.6 Cg_endo -83.24 -48.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.828 1.436 . . . . 0.0 110.477 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 26.1 mt-30 -60.09 -48.8 80.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.851 . . . . 0.0 110.348 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.459 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.0 tp-100 -69.92 -51.35 33.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.229 -0.92 . . . . 0.0 110.135 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -51.03 -37.36 44.76 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.992 -1.068 . . . . 0.0 109.703 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -60.39 -43.06 97.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.347 -0.845 . . . . 0.0 109.392 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 98.9 mm-40 -67.93 -55.95 10.85 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 110.09 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -56.97 -31.09 64.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.243 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.9 -29.67 70.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.95 -31.68 67.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -60.48 -43.67 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.904 . . . . 0.0 110.635 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.99 -31.67 42.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.952 . . . . 0.0 110.365 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -70.28 -60.77 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.364 -0.835 . . . . 0.0 110.259 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 33' ' ' ILE . 67.6 mt -61.77 -32.28 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.202 -0.936 . . . . 0.0 110.178 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.29 -50.99 71.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.664 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' HA ' HG22 ' A' ' 38' ' ' ILE . 1.1 t80 -57.19 -46.62 82.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.416 -0.802 . . . . 0.0 109.399 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.1 -22.53 64.73 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.265 -0.897 . . . . 0.0 110.331 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 37' ' ' LEU . 6.8 tt -89.98 -45.81 8.94 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.372 -0.83 . . . . 0.0 110.504 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 35' ' ' PHE . 11.5 tt -71.24 -19.07 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.258 -0.901 . . . . 0.0 110.739 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -72.07 -19.24 61.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.307 -0.871 . . . . 0.0 111.124 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 41' ' ' PHE . 27.6 pt -131.39 -36.55 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.926 -1.109 . . . . 0.0 111.012 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.44 ' N ' HG13 ' A' ' 40' ' ' ILE . 49.1 t80 -55.14 -23.69 22.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.443 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 45' ' ' ILE . 51.8 tp -85.11 -62.89 1.43 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.244 -0.91 . . . . 0.0 110.48 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.9 pp -61.58 -13.54 22.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.26 -0.9 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.76 ' N ' HD12 ' A' ' 43' ' ' LEU . 53.5 tp -87.04 -57.04 3.12 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 120.953 -1.092 . . . . 0.0 110.915 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' ' 49' ' ' VAL . 31.9 pt -53.85 -21.88 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.267 -0.896 . . . . 0.0 110.842 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 50' ' ' MET . 51.3 t -59.19 -33.44 70.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.133 -0.979 . . . . 0.0 110.699 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 47' ' ' ILE . 2.1 mp -82.06 -20.66 10.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.3 mt -90.77 -39.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.235 -0.916 . . . . 0.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 50' ' ' MET . 12.0 p -63.93 -41.63 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.232 -0.918 . . . . 0.0 110.348 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.54 ' N ' HG13 ' A' ' 49' ' ' VAL . 92.0 mmm -59.23 -17.45 28.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.08 -1.013 . . . . 0.0 110.655 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.5 mt -97.12 -42.4 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.026 -1.046 . . . . 0.0 110.335 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.248 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.822 0.82 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.02 -41.22 2.55 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.4 0.619 . . . . 0.0 109.655 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -112.77 -29.99 7.22 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.386 -0.821 . . . . 0.0 109.985 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.79 -32.88 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 25.5 pt20 -68.88 -41.27 78.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.914 . . . . 0.0 110.356 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.476 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 6.6 t80 -83.81 -36.23 23.66 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.097 -1.002 . . . . 0.0 109.772 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.816 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.5 tt -55.81 -35.44 66.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 109.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -74.26 -33.14 63.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.096 -1.003 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.74 -35.5 22.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 110.172 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.8 p -63.66 -16.55 61.29 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.472 -0.767 . . . . 0.0 110.054 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.97 -21.69 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.19 -0.944 . . . . 0.0 110.791 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 12' ' ' ILE . 2.6 mp -92.3 -43.36 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.017 -1.052 . . . . 0.0 110.66 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -54.18 -41.22 68.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.044 -1.035 . . . . 0.0 110.125 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -57.52 -19.21 23.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.28 -14.77 21.14 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.156 -0.965 . . . . 0.0 111.111 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -133.88 17.52 3.85 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.995 -1.065 . . . . 0.0 111.081 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.6 m -127.6 -26.84 2.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.141 -0.974 . . . . 0.0 110.567 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -97.03 -17.37 6.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 O-C-N 120.987 -1.071 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -103.22 -31.67 9.99 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 111.16 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.509 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 67.2 mtm -128.78 51.4 7.24 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 20' ' ' MET . 46.1 Cg_endo -73.77 -21.34 18.97 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 O-C-N 123.637 1.336 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 3.6 mm100 -102.65 -32.76 9.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 53.8 tt0 -83.47 -42.73 16.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.078 -1.013 . . . . 0.0 110.256 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 20' ' ' MET . . . -61.94 -44.7 96.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 109.584 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -59.67 -51.47 69.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.329 -0.857 . . . . 0.0 109.784 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 11.0 mm100 -69.36 -49.89 51.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 20.0 t-20 -49.99 -30.42 10.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.475 -0.766 . . . . 0.0 110.367 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.816 ' O ' HD13 ' A' ' 28' ' ' LEU . 2.1 tm? -54.47 -35.2 62.78 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.355 -0.841 . . . . 0.0 109.428 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -70.12 -31.31 68.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.0 110.491 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.556 ' HA ' HG22 ' A' ' 33' ' ' ILE . 45.2 t30 -59.02 -32.19 69.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 110.5 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.41 -31.34 71.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.206 -0.934 . . . . 0.0 110.273 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.92 -53.02 7.15 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.19 -0.944 . . . . 0.0 110.381 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 30' ' ' ASN . 12.4 tt -63.93 -37.86 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.152 -0.967 . . . . 0.0 109.785 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' N ' HG23 ' A' ' 33' ' ' ILE . 43.7 t30 -62.83 -43.46 98.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 110.236 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.513 ' HA ' HG22 ' A' ' 38' ' ' ILE . 47.3 t80 -55.57 -35.64 65.99 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.3 t -69.2 -29.8 67.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.086 -1.009 . . . . 0.0 109.727 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.691 ' C ' HD23 ' A' ' 37' ' ' LEU . 6.6 tt -80.9 -42.6 21.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.419 -0.801 . . . . 0.0 110.149 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 35' ' ' PHE . 8.3 tp -77.22 -15.77 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 110.431 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' C ' HG23 ' A' ' 40' ' ' ILE . 48.0 tp -62.99 -14.51 48.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.307 -0.871 . . . . 0.0 110.952 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.736 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -150.1 -34.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.886 -1.134 . . . . 0.0 111.373 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.74 ' O ' HG23 ' A' ' 45' ' ' ILE . 48.0 t80 -49.62 -30.83 9.54 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.896 -1.128 . . . . 0.0 110.504 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -58.18 -18.2 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.83 ' N ' HD12 ' A' ' 42' ' ' LEU . 2.9 tm? -93.41 -42.77 9.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.106 -0.996 . . . . 0.0 109.473 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 47' ' ' ILE . 93.4 mt -61.69 -36.73 81.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.665 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 41' ' ' PHE . 28.6 pt -55.97 -23.34 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.271 -0.893 . . . . 0.0 110.932 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.44 -58.11 3.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.913 -1.117 . . . . 0.0 111.238 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.598 HG13 HG23 ' A' ' 48' ' ' ILE . 31.0 pt -62.0 -21.88 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.12 -0.988 . . . . 0.0 111.671 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.763 HG13 HG23 ' A' ' 49' ' ' VAL . 28.7 pt -94.59 -37.05 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.715 -1.241 . . . . 0.0 111.093 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.763 HG23 HG13 ' A' ' 48' ' ' ILE . 94.6 t -87.59 -11.95 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.0 -1.063 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.8 tpt -81.64 -16.46 51.36 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 120.956 -1.09 . . . . 0.0 110.401 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.78 -8.24 41.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.669 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.198 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.734 0.778 . . . . 0.0 109.748 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 3.0 p30 -117.38 -23.46 7.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 15.0 ptmm? -105.09 -37.32 6.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 98.0 t -50.1 -24.96 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.146 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 9' ' ' ARG . 95.3 mm-40 -76.5 -52.21 10.24 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 110.333 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 9.8 m-30 -60.87 -48.08 83.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.143 -0.973 . . . . 0.0 110.788 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 7' ' ' LEU . 4.4 mm? -59.11 -48.64 80.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.13 -0.981 . . . . 0.0 109.951 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -67.75 -57.28 6.61 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.281 -0.887 . . . . 0.0 109.742 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 5' ' ' GLN . 47.2 mmt-85 -52.92 -38.5 61.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 109.944 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 93.3 p -71.1 -23.4 62.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.261 -0.899 . . . . 0.0 109.598 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 -33.56 51.69 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.329 -0.857 . . . . 0.0 110.526 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 12' ' ' ILE . 7.0 tp -95.65 -22.8 5.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.157 -0.964 . . . . 0.0 110.335 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' CD ' ' OG1' ' A' ' 17' ' ' THR . 14.2 tpp85 -60.49 -24.11 65.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.213 -0.929 . . . . 0.0 109.881 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 83.6 mtm180 -63.84 -24.03 67.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.366 -0.834 . . . . 0.0 110.113 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.33 -38.01 7.82 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.183 -0.948 . . . . 0.0 110.124 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -73.89 -2.73 25.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -127.05 -2.79 6.43 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.998 -1.064 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 47.9 mm -115.17 -15.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 O-C-N 121.011 -1.056 . . . . 0.0 109.761 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.27 -31.73 12.77 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.25 -0.906 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 80.3 mtp -135.56 51.2 5.25 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.812 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 20' ' ' MET . 45.2 Cg_endo -72.71 -39.52 2.49 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 O-C-N 123.722 1.38 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -73.94 -50.25 20.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 110.533 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -63.09 -52.8 61.26 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.079 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -53.67 -37.7 63.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.965 . . . . 0.0 109.783 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -63.56 -47.88 79.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.939 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -65.35 -54.74 24.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.351 -0.843 . . . . 0.0 110.253 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' HB2' ' OE1' ' A' ' 23' ' ' GLN . 0.7 OUTLIER -50.38 -36.1 31.16 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.469 -0.769 . . . . 0.0 110.269 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.63 -31.67 37.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.182 -0.948 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -71.17 -15.45 62.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 110.72 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -48.36 16.75 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.057 -1.027 . . . . 0.0 110.735 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 58.3 tp -51.88 -29.91 21.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 110.513 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HB3' HD12 ' A' ' 33' ' ' ILE . 6.1 t80 -62.07 -41.37 98.09 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.303 -0.873 . . . . 0.0 110.053 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.735 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.3 mp -83.58 -50.22 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.618 ' O ' HG22 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -52.86 -34.9 56.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.761 179.531 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CE1' HD11 ' A' ' 39' ' ' LEU . 5.7 t80 -65.13 -41.94 94.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 110.011 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.791 ' O ' HD13 ' A' ' 40' ' ' ILE . 53.4 t -81.51 -6.92 59.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.218 -0.927 . . . . 0.0 110.762 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD13 ' O ' ' A' ' 37' ' ' LEU . 2.9 tm? -107.26 -32.71 7.67 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.02 -1.05 . . . . 0.0 109.332 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 34' ' ' ASN . 8.5 tp -72.84 -37.1 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 110.232 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 35' ' ' PHE . 90.3 mt -68.53 -23.11 64.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.968 . . . . 0.0 110.813 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 36' ' ' CYS . 2.1 mp -96.7 -34.54 5.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.041 -1.037 . . . . 0.0 110.34 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.67 -45.4 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 110.641 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.742 HD12 ' N ' ' A' ' 43' ' ' LEU . 4.0 pp -61.37 -15.74 39.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 110.99 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.803 ' O ' HD23 ' A' ' 43' ' ' LEU . 5.5 tt -92.47 -37.42 12.54 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.07 -1.019 . . . . 0.0 109.681 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 48' ' ' ILE . 90.5 mt -69.36 -46.12 67.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 110.724 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' HD11 ' A' ' 48' ' ' ILE . 31.2 pt -58.44 -27.24 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.819 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.0 t -77.38 -28.56 52.87 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.119 -0.988 . . . . 0.0 111.056 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 44' ' ' LEU . 34.6 pt -96.9 3.9 9.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.05 -1.031 . . . . 0.0 111.391 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.64 HG13 HG23 ' A' ' 49' ' ' VAL . 31.8 pt -117.59 -26.0 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.841 -1.162 . . . . 0.0 110.179 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.64 HG23 HG13 ' A' ' 48' ' ' ILE . 91.9 t -91.31 -29.66 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 110.182 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ptm -64.93 -17.57 64.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.12 -0.988 . . . . 0.0 110.213 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.686 ' C ' HD12 ' A' ' 51' ' ' LEU . 2.6 pp -121.96 19.37 10.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 110.45 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 C--N 1.304 -1.398 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.008 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.462 0.648 . . . . 0.0 110.204 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -119.65 -8.99 9.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.892 -1.13 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -112.42 -31.78 6.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 0.0 110.628 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.06 -22.44 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.155 -0.966 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -81.57 -67.11 0.81 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.189 -0.944 . . . . 0.0 110.644 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 9.8 m-30 -53.96 -31.86 51.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.255 -0.903 . . . . 0.0 110.704 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' ALA . 57.2 tp -71.72 -56.6 5.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -58.01 -43.08 86.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.293 -0.879 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.65 -23.6 4.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.21 -0.931 . . . . 0.0 110.443 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -121.87 -8.86 8.86 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.316 -0.865 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' HD13 ' A' ' 12' ' ' ILE . . . -95.32 -13.04 25.12 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.005 -1.059 . . . . 0.0 110.843 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 11' ' ' ALA . 46.1 mm -130.38 -33.8 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 121.015 -1.053 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.44 -57.11 10.18 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.883 -1.136 . . . . 0.0 109.827 -179.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.501 ' O ' HG21 ' A' ' 18' ' ' ILE . 17.1 ptm180 -85.15 9.94 13.57 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.127 -0.983 . . . . 0.0 110.64 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.89 -14.76 8.0 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 121.094 -1.004 . . . . 0.0 110.757 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -131.92 0.29 3.86 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.976 -1.077 . . . . 0.0 111.79 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 17' ' ' THR . 86.4 m -125.7 1.55 7.49 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.175 -0.953 . . . . 0.0 110.015 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.918 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.73 -27.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 108.767 179.085 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' A' ' 19' ' ' GLU . 44.4 tp10 -103.46 -31.05 10.17 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.19 -0.944 . . . . 0.0 110.473 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -132.82 59.57 43.89 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.304 -0.873 . . . . 0.0 110.439 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.4 -34.17 6.19 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.699 1.368 . . . . 0.0 110.209 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.24 -38.78 30.32 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -74.27 -51.55 14.96 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.266 -0.896 . . . . 0.0 109.906 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.96 -43.02 60.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -68.16 -28.99 67.77 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.373 -0.829 . . . . 0.0 108.941 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 4.3 tp-100 -75.9 -61.79 1.81 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.665 -0.647 . . . . 0.0 109.796 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -50.11 -30.13 10.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.521 -0.737 . . . . 0.0 110.617 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.04 -25.39 2.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.884 . . . . 0.0 110.706 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -56.21 -21.34 22.59 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.214 -0.929 . . . . 0.0 110.492 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.482 ' HA ' HG22 ' A' ' 33' ' ' ILE . 3.6 m120 -54.45 -39.19 67.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.485 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 58.9 tp -55.23 -32.16 62.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -59.2 2.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.249 -0.907 . . . . 0.0 110.283 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 30' ' ' ASN . 10.9 tt -56.86 -23.04 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.22 -0.925 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -74.72 -62.6 1.48 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.218 -0.927 . . . . 0.0 110.344 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 13.1 m-30 -56.95 -18.75 14.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.869 . . . . 0.0 110.761 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.53 -40.74 20.58 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.977 -1.077 . . . . 0.0 110.606 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.8 mt -84.42 -35.42 23.09 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 110.875 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.8 mm -68.0 -34.05 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.765 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 35' ' ' PHE . 93.3 mt -78.04 -18.86 55.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 110.777 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.9 mt -105.5 -33.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.104 -0.997 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.56 -40.05 86.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.204 -0.935 . . . . 0.0 110.471 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.24 -43.79 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 109.799 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 46' ' ' CYS . 59.5 tp -74.23 -31.63 62.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.279 -0.888 . . . . 0.0 109.961 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.615 HD13 ' C ' ' A' ' 44' ' ' LEU . 2.7 tm? -63.62 -54.1 41.11 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.259 -0.9 . . . . 0.0 110.212 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.7 pt -60.11 -22.88 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.127 -0.983 . . . . 0.0 110.731 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 53.6 t -57.16 -39.51 75.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.721 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.71 ' O ' HD13 ' A' ' 51' ' ' LEU . 63.1 mt -59.32 -22.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.154 -0.966 . . . . 0.0 110.654 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.2 mt -92.02 -29.56 4.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.282 -0.886 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.3 t -73.11 -39.28 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.28 -0.888 . . . . 0.0 110.31 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.668 ' C ' HD12 ' A' ' 51' ' ' LEU . 83.9 mtp -62.24 -20.1 63.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 110.492 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.739 HD12 ' N ' ' A' ' 51' ' ' LEU . 6.7 mp -110.46 -57.9 2.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.068 -1.02 . . . . 0.0 110.292 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 52' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.124 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptp . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.838 0.828 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 2.7 p30 -167.39 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.616 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.4 ptpt -113.84 -25.47 8.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.871 -1.143 . . . . 0.0 110.305 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.426 HG23 HE21 ' A' ' 5' ' ' GLN . 35.6 m -72.04 -23.61 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.146 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.426 HE21 HG23 ' A' ' 4' ' ' VAL . 98.1 mm-40 -77.95 -58.4 3.28 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.232 -0.918 . . . . 0.0 110.022 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 47.6 t80 -59.26 -33.25 70.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.196 -0.94 . . . . 0.0 110.065 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.83 -52.66 62.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 110.167 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -68.47 -25.58 65.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.227 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 10.9 tpt180 -48.46 -33.56 9.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.36 -0.837 . . . . 0.0 110.01 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -64.21 -28.17 69.56 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.502 -0.749 . . . . 0.0 109.601 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.63 -31.72 32.28 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.276 -0.89 . . . . 0.0 109.852 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -71.08 -50.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -61.77 -21.02 64.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 0.0 110.393 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 tpt85 -63.8 -22.57 66.98 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.16 -0.963 . . . . 0.0 109.728 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.16 -24.58 6.93 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.327 -0.858 . . . . 0.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 t -95.84 23.66 6.11 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.182 -0.949 . . . . 0.0 110.925 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.3 m -127.77 -11.78 5.46 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.114 -0.991 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.04 -28.87 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.035 -1.041 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -116.61 -18.67 10.27 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.306 -0.871 . . . . 0.0 110.41 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.533 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.1 tpt -63.22 -43.79 81.61 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.943 . . . . 0.0 111.232 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 20' ' ' MET . 45.3 Cg_endo -74.78 -49.28 0.16 Allowed 'Trans proline' 0 C--N 1.319 -1.01 0 O-C-N 122.877 0.935 . . . . 0.0 110.147 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -57.16 -32.11 66.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 109.652 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.42 -42.08 17.38 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.404 -0.81 . . . . 0.0 109.914 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.49 -41.04 63.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.09 -50.31 73.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.458 -0.777 . . . . 0.0 109.291 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.07 -53.9 11.46 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.446 -0.784 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -54.58 -20.47 8.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.497 -0.752 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.835 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.6 tt -50.59 -32.79 19.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -0.988 . . . . 0.0 109.761 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 30' ' ' ASN . 19.2 pt20 -54.06 -37.09 63.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.109 -0.995 . . . . 0.0 109.505 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 74.9 m-20 -78.28 -39.67 39.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.45 -0.781 . . . . 0.0 110.255 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -53.27 -33.89 55.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 109.752 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -58.52 -61.43 2.6 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.42 -0.8 . . . . 0.0 109.799 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -68.15 -37.13 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.402 -0.811 . . . . 0.0 109.942 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -55.3 -45.14 76.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.148 -0.97 . . . . 0.0 109.331 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.42 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 5.8 t80 -62.97 -28.85 70.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.451 -0.781 . . . . 0.0 109.091 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.446 ' CA ' HD22 ' A' ' 39' ' ' LEU . 75.7 m -96.31 1.94 52.38 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.462 -0.774 . . . . 0.0 110.536 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 42' ' ' LEU . 50.9 tp -118.42 -12.08 9.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.088 -1.007 . . . . 0.0 110.939 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.755 ' HA ' HD23 ' A' ' 42' ' ' LEU . 50.7 mm -114.24 -20.86 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.919 -1.113 . . . . 0.0 110.07 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 39' ' ' LEU . 2.2 pt? -55.63 -17.18 5.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.348 -0.845 . . . . 0.0 111.181 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.569 HG22 ' HG ' ' A' ' 39' ' ' LEU . 10.4 tt -167.04 -31.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.747 -1.22 . . . . 0.0 112.706 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 58.4 m-85 -58.83 -18.16 30.04 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.616 -1.302 . . . . 0.0 111.428 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 38' ' ' ILE . 4.3 mm? -93.49 -18.23 22.52 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.823 -1.173 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 57.8 tp -90.74 -50.37 5.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.265 -0.897 . . . . 0.0 109.939 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.739 ' O ' HD23 ' A' ' 44' ' ' LEU . 4.6 tt -56.46 -41.56 76.72 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.261 -0.9 . . . . 0.0 110.054 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.913 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -54.48 -27.61 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.155 -0.966 . . . . 0.0 110.032 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.563 ' HA ' HG22 ' A' ' 49' ' ' VAL . 41.9 t -75.89 -14.18 60.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.047 -1.033 . . . . 0.0 111.266 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 44' ' ' LEU . 1.8 mp -77.68 -27.1 15.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.93 -1.107 . . . . 0.0 110.031 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 45' ' ' ILE . 40.6 pt -93.31 -25.45 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 45' ' ' ILE . 19.3 m -73.71 -35.46 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.031 -1.043 . . . . 0.0 109.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.443 ' HG2' HG23 ' A' ' 49' ' ' VAL . 92.8 mmm -73.07 -16.04 61.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.442 -0.786 . . . . 0.0 110.963 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -122.88 -48.23 2.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 110.692 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' ILE . 84.1 mt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.435 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 tpp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.085 0.469 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.27 -0.57 12.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.874 -1.141 . . . . 0.0 110.389 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 19.3 ptpt -113.3 -30.36 6.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.91 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.669 HG13 HE21 ' A' ' 5' ' ' GLN . 8.2 p -83.19 -13.66 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 0.0 110.108 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.669 HE21 HG13 ' A' ' 4' ' ' VAL . 98.5 mm-40 -80.36 -69.57 0.58 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.227 -0.92 . . . . 0.0 110.193 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 9.9 m-30 -58.56 -35.12 71.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 64.6 tp -56.28 -45.04 80.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 91.1 m -70.05 -34.07 72.76 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.35 -0.844 . . . . 0.0 110.426 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -51.21 -40.82 59.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.114 -0.991 . . . . 0.0 109.969 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -64.76 -20.69 66.5 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.385 -0.822 . . . . 0.0 109.502 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -82.08 -21.75 36.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.241 -0.912 . . . . 0.0 110.107 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.57 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.329 -0.857 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 11.2 tpt180 -53.71 -39.95 65.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.751 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.428 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 50.4 ttt-85 -53.43 -29.83 37.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 110.676 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.24 -34.66 9.15 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.171 -0.955 . . . . 0.0 111.199 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 82.8 p -76.45 -0.18 22.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.035 -1.041 . . . . 0.0 111.121 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 17' ' ' THR . 86.8 m -125.1 14.01 8.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 109.814 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 46.9 mm -123.68 -24.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.371 -0.83 . . . . 0.0 110.24 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -118.54 -13.29 9.7 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.09 -1.006 . . . . 0.0 110.661 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.542 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 57.2 ttp -56.98 -43.35 99.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 0.0 111.9 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 20' ' ' MET . 43.1 Cg_endo -72.81 -39.83 2.23 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 122.847 0.92 . . . . 0.0 110.589 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -69.05 -33.99 74.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.1 tp-100 -83.28 -41.81 17.89 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.294 -0.878 . . . . 0.0 110.029 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.3 65.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 109.4 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.41 -43.11 79.02 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.414 -0.804 . . . . 0.0 109.327 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 3.7 mm100 -72.32 -49.94 30.72 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.589 -0.695 . . . . 0.0 109.803 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -61.82 -19.07 62.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.551 -0.718 . . . . 0.0 110.439 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.29 -39.51 67.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.117 -0.99 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.76 -37.31 87.16 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.275 -0.891 . . . . 0.0 110.022 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.88 -33.96 72.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.363 -0.836 . . . . 0.0 110.134 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.47 -27.27 65.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.386 -0.821 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -81.83 -33.15 30.85 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.191 -0.943 . . . . 0.0 110.384 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.0 mt -79.66 -42.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.216 -0.927 . . . . 0.0 110.43 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -63.94 -48.26 77.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.855 . . . . 0.0 110.462 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.539 ' HA ' HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -59.14 -48.89 79.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 109.758 -179.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.14 -25.99 62.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.007 -1.058 . . . . 0.0 109.691 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.666 ' C ' HD23 ' A' ' 37' ' ' LEU . 6.4 tt -80.8 -52.6 7.33 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.459 -0.776 . . . . 0.0 109.805 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' PHE . 9.2 tp -69.61 -14.54 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.22 -0.925 . . . . 0.0 110.773 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 tp -71.62 -24.89 61.96 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.184 -0.947 . . . . 0.0 111.563 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.536 ' C ' HD23 ' A' ' 42' ' ' LEU . 26.2 pt -128.97 -38.41 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.741 -1.224 . . . . 0.0 111.104 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' HA ' HD23 ' A' ' 44' ' ' LEU . 42.6 m-85 -66.08 -14.93 62.58 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 110.498 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 42' ' ' LEU . 2.7 pt? -55.93 -34.15 65.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.943 -1.098 . . . . 0.0 109.683 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 61.5 tp -78.78 -26.9 44.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.059 -1.025 . . . . 0.0 110.207 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.667 HD22 ' N ' ' A' ' 44' ' ' LEU . 3.7 mm? -75.29 -44.75 43.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.453 -0.78 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HA ' HD11 ' A' ' 48' ' ' ILE . 29.8 pt -65.81 -22.82 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.111 -0.993 . . . . 0.0 110.089 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.11 -52.44 7.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 111.562 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 51' ' ' LEU . 33.7 pt -55.1 -22.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.876 -1.14 . . . . 0.0 110.97 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.674 HG13 HG23 ' A' ' 49' ' ' VAL . 34.6 pt -92.23 -31.81 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.044 -1.035 . . . . 0.0 110.5 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.674 HG23 HG13 ' A' ' 48' ' ' ILE . 98.3 t -91.64 -38.92 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 110.225 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mmt -63.58 -24.28 67.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 110.347 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 47' ' ' ILE . 90.4 mt -97.29 -7.22 32.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.362 -0.836 . . . . 0.0 110.567 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.088 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG3' ' CG2' ' A' ' 4' ' ' VAL . 51.9 ttp . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.539 0.685 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 12.0 p-10 -169.36 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 109.914 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.488 ' NZ ' HD11 ' A' ' 7' ' ' LEU . 57.0 tttm -86.34 -35.59 19.75 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.401 -0.812 . . . . 0.0 110.327 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 1' ' ' MET . 27.8 m -64.44 -24.29 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -72.5 -53.93 10.67 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.413 -0.804 . . . . 0.0 110.305 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 2' ' ' ASP . 42.7 m-85 -58.58 -47.92 82.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.079 -1.013 . . . . 0.0 110.083 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.488 HD11 ' NZ ' ' A' ' 3' ' ' LYS . 93.3 mt -56.62 -42.01 78.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.143 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -64.37 -55.35 21.74 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.941 . . . . 0.0 109.874 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 41.2 ttm-85 -51.94 -34.56 42.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.279 -0.888 . . . . 0.0 109.877 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 48.0 t -76.13 -16.15 59.94 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.893 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.33 -40.96 8.87 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 121.302 -0.874 . . . . 0.0 109.984 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 13' ' ' ARG . 7.4 tp -63.69 -38.2 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.298 -0.876 . . . . 0.0 110.215 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' N ' HG23 ' A' ' 12' ' ' ILE . 20.3 mmt85 -64.79 -23.35 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.054 -1.028 . . . . 0.0 110.215 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.778 ' HA ' HD13 ' A' ' 18' ' ' ILE . 44.2 mmt-85 -77.03 -17.85 58.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 110.493 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.16 0.96 16.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.144 -0.972 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.0 p -123.73 -6.0 8.03 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.025 -1.047 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.608 ' C ' HD12 ' A' ' 18' ' ' ILE . 95.2 m -125.57 -14.99 6.2 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.331 -0.856 . . . . 0.0 110.038 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.778 HD13 ' HA ' ' A' ' 14' ' ' ARG . 2.5 mp -107.71 -10.5 10.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.17 -0.956 . . . . 0.0 109.704 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -118.79 -31.43 4.81 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.019 -1.051 . . . . 0.0 110.462 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 83.3 mtp -141.12 65.82 23.36 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.224 -0.923 . . . . 0.0 110.389 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -87.01 -80.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.669 1.352 . . . . 0.0 111.013 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.2 pt20 -56.73 -24.67 51.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 111.029 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -82.4 -62.07 1.72 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.91 -1.119 . . . . 0.0 110.345 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 20' ' ' MET . . . -50.38 -39.49 46.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.955 -1.09 . . . . 0.0 110.224 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.97 -55.59 18.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.214 -0.929 . . . . 0.0 110.119 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 13.4 mm100 -64.86 -50.82 65.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.337 -0.852 . . . . 0.0 110.291 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -55.15 -35.0 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.479 -0.763 . . . . 0.0 111.164 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.834 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.7 tt -56.08 -33.95 65.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.817 -1.177 . . . . 0.0 109.785 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.54 -37.63 22.76 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.245 -0.91 . . . . 0.0 110.226 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -53.42 -33.32 53.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.0 110.194 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.917 HD12 ' CE1' ' A' ' 35' ' ' PHE . 57.8 tp -58.37 -32.13 68.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.278 -0.889 . . . . 0.0 110.083 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -78.55 -40.55 34.57 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.365 -0.834 . . . . 0.0 110.949 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.1 mp -81.12 -45.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.033 -1.042 . . . . 0.0 109.928 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -53.01 -37.37 61.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.254 -0.904 . . . . 0.0 109.96 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.917 ' CE1' HD12 ' A' ' 31' ' ' LEU . 10.0 m-85 -84.14 -21.3 31.42 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.343 -0.848 . . . . 0.0 109.695 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.3 -37.52 37.54 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.774 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 tp -72.52 -51.53 19.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.375 -0.828 . . . . 0.0 110.182 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 39' ' ' LEU . 7.1 tp -56.57 -39.6 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.338 -0.851 . . . . 0.0 110.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.613 ' C ' HD23 ' A' ' 39' ' ' LEU . 4.9 tt -59.0 -52.65 64.86 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.296 -0.877 . . . . 0.0 109.452 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.49 -44.02 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -53.4 -48.85 68.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.793 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.8 tt -54.55 -41.57 69.92 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.309 -0.869 . . . . 0.0 109.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.97 -51.53 69.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.265 -0.897 . . . . 0.0 111.487 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 44' ' ' LEU . 4.1 mm? -65.47 -49.24 69.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 111.303 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.8 mp -72.41 -1.96 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 111.251 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 49' ' ' VAL . 40.9 t -93.82 -28.77 15.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.706 -1.246 . . . . 0.0 110.676 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.06 -13.98 17.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.156 -0.965 . . . . 0.0 110.868 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 49' ' ' VAL . 8.6 tp -99.03 -36.56 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.095 -1.003 . . . . 0.0 110.684 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 46' ' ' CYS . 14.3 p -75.58 -30.67 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.129 -0.982 . . . . 0.0 110.514 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 mmt -74.66 -2.33 25.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -106.8 12.5 28.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 110.661 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.019 -1.051 . . . . 0.0 110.147 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.93 0.871 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.57 -39.8 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.286 0.565 . . . . 0.0 109.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 64.4 pttt -110.3 -35.42 6.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.894 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 8.1 p -64.59 -12.68 13.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.79 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 3.0 pt20 -75.2 -45.89 37.57 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.053 -1.029 . . . . 0.0 111.179 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 11.3 p90 -87.11 -34.12 19.22 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.705 -1.247 . . . . 0.0 109.207 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' HG ' ' CE1' ' A' ' 6' ' ' TYR . 83.2 mt -57.94 -40.59 80.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.035 -1.041 . . . . 0.0 109.61 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -70.53 -41.63 72.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.175 -0.953 . . . . 0.0 110.185 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.69 -42.34 64.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.048 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.49 -8.78 58.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.437 -0.79 . . . . 0.0 110.507 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.707 ' C ' HD12 ' A' ' 12' ' ' ILE . . . -78.36 -30.98 48.28 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.976 -1.077 . . . . 0.0 110.986 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 12' ' ' ILE . 2.4 mp -112.92 -39.5 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 120.966 -1.084 . . . . 0.0 110.799 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 17' ' ' THR . 18.6 mmt85 -65.24 -45.67 83.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 110.48 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.3 mtp-105 -91.38 27.21 2.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.072 -1.018 . . . . 0.0 110.35 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.7 -40.04 0.23 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.312 -0.867 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -97.5 1.56 49.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.282 -0.886 . . . . 0.0 111.709 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 88.2 m -124.73 -12.27 7.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.121 -0.987 . . . . 0.0 110.562 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.741 HG23 ' HG2' ' A' ' 19' ' ' GLU . 7.4 tp -110.3 -19.62 6.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.023 -1.048 . . . . 0.0 109.862 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.741 ' HG2' HG23 ' A' ' 18' ' ' ILE . 67.6 mm-40 -103.03 -20.03 14.35 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.112 -0.993 . . . . 0.0 110.465 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 24.6 ptm -144.27 55.37 3.33 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 110.436 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 20' ' ' MET . 44.1 Cg_endo -71.36 -29.14 17.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.661 1.348 . . . . 0.0 109.992 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 26.0 mt-30 -86.05 -32.7 21.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 110.047 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.3 tp-100 -82.21 -48.1 11.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.269 -0.894 . . . . 0.0 109.876 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.83 66.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.359 -0.838 . . . . 0.0 110.002 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.57 -45.16 89.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 109.988 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 97.2 mm-40 -69.51 -45.07 69.77 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.321 -0.862 . . . . 0.0 110.022 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.66 -41.86 87.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.436 -0.79 . . . . 0.0 110.646 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 tp -51.39 -25.08 5.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.231 -0.918 . . . . 0.0 110.353 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.66 -29.1 51.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.5 m120 -59.78 -30.57 68.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 110.601 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.7 -29.01 70.29 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.093 -1.004 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -73.74 -53.07 11.17 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.4 -0.813 . . . . 0.0 110.91 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.785 HD13 ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.65 -37.43 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.115 -0.99 . . . . 0.0 110.169 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.6 -54.6 33.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.953 -1.092 . . . . 0.0 109.99 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 47.5 t80 -59.42 -46.11 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.0 110.157 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.84 -39.75 82.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.11 -0.994 . . . . 0.0 109.618 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 41' ' ' PHE . 2.5 tm? -63.48 -55.18 26.16 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.424 -0.798 . . . . 0.0 109.123 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.1 tp -67.91 -23.49 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.67 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.3 tp -79.75 -32.6 41.06 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.257 -0.902 . . . . 0.0 111.581 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 40' ' ' ILE . 62.0 mt -96.31 -28.15 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.901 -1.124 . . . . 0.0 111.727 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.653 ' CE1' HD22 ' A' ' 37' ' ' LEU . 9.8 m-85 -82.4 -24.67 34.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 111.029 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -59.8 -21.25 60.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.821 -1.174 . . . . 0.0 109.829 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.88 ' N ' HD12 ' A' ' 42' ' ' LEU . 62.4 tp -88.73 -37.76 15.24 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.288 -0.882 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.19 -45.29 85.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.868 . . . . 0.0 110.935 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.8 pt -55.18 -20.72 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 110.692 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 50' ' ' MET . 53.6 t -82.36 -26.55 32.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 110.859 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.93 -40.93 88.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.184 -0.948 . . . . 0.0 111.287 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 49' ' ' VAL . 28.7 pt -79.06 -34.97 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.023 -1.048 . . . . 0.0 111.06 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.423 ' N ' HG13 ' A' ' 48' ' ' ILE . 64.6 t -72.62 -31.46 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.152 -0.968 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 46' ' ' CYS . 26.3 mmt -83.45 -1.96 54.77 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.078 -1.014 . . . . 0.0 111.254 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.88 -38.69 2.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.011 -1.055 . . . . 0.0 110.337 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.141 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 1' ' ' MET . 47.2 tpp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.15 0.5 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -117.37 -6.42 11.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.957 -1.089 . . . . 0.0 110.661 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -103.51 -34.22 8.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.093 -1.004 . . . . 0.0 109.911 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.15 -49.93 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.4 pt20 -54.71 -34.35 62.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.113 -0.992 . . . . 0.0 109.658 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.442 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -72.2 -57.88 3.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 0.0 109.744 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -56.81 -32.91 66.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.433 -0.792 . . . . 0.0 110.185 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.4 m -70.27 -48.4 56.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.697 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -49.88 -33.24 16.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.16 -0.962 . . . . 0.0 109.937 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -78.66 -24.51 45.1 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.55 -0.719 . . . . 0.0 109.725 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.97 -50.01 9.63 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.423 -0.798 . . . . 0.0 110.168 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 13' ' ' ARG . 6.9 tp -58.92 -37.46 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 12' ' ' ILE . 45.7 ttm-85 -53.05 -23.01 6.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.436 -0.79 . . . . 0.0 109.761 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 4.9 mtp-105 -61.51 -41.06 96.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.913 . . . . 0.0 109.481 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.34 -19.74 13.6 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -89.89 19.56 4.75 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.226 -0.921 . . . . 0.0 110.74 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.415 ' OG1' ' HG3' ' A' ' 13' ' ' ARG . 96.2 m -127.17 -15.99 5.12 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.231 -0.918 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.417 ' H ' HG22 ' A' ' 18' ' ' ILE . 7.3 tp -94.32 -19.33 6.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 120.895 -1.128 . . . . 0.0 109.593 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 23' ' ' GLN . 16.3 pt-20 -122.72 10.84 9.69 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.297 -0.877 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.539 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 49.1 ttm -55.27 -43.72 99.25 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 0.0 112.043 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 20' ' ' MET . 42.9 Cg_endo -72.09 -34.78 7.8 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 122.894 0.944 . . . . 0.0 110.943 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 85.4 mt-30 -91.11 -8.37 49.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 110.681 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.1 tp-100 -100.08 -41.57 7.09 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.124 -0.985 . . . . 0.0 109.845 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.31 82.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.24 -0.912 . . . . 0.0 109.353 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 3.5 ttm105 -55.67 -33.49 64.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 12.4 mm100 -75.8 -54.87 6.26 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.578 -0.701 . . . . 0.0 109.554 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' ND2' ' HG3' ' A' ' 23' ' ' GLN . 75.5 m-20 -59.74 -34.73 73.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.466 -0.771 . . . . 0.0 110.663 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.01 -28.13 9.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 110.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 3.7 mm100 -70.73 -58.1 3.99 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.397 -0.814 . . . . 0.0 110.209 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' HA ' HG22 ' A' ' 33' ' ' ILE . 5.3 m120 -54.65 -33.42 60.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -0.892 . . . . 0.0 110.22 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.65 -33.29 66.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.25 -0.906 . . . . 0.0 110.031 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -73.75 -63.97 1.1 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.26 -41.66 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.354 -0.842 . . . . 0.0 109.795 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.596 ' OD1' HD13 ' A' ' 38' ' ' ILE . 21.7 t-20 -63.83 -51.23 65.63 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.284 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 49.0 t80 -49.86 -24.42 2.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.206 -0.934 . . . . 0.0 110.566 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -94.33 -13.91 25.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 0.0 110.809 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 tp -91.06 -40.11 11.81 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.702 ' N ' HD12 ' A' ' 38' ' ' ILE . 2.1 mp -78.34 -43.42 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.02 . . . . 0.0 109.531 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 39' ' ' LEU . 5.1 tt -50.94 -41.22 58.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 0.0 109.668 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 41' ' ' PHE . 28.0 pt -84.59 -38.06 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.374 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.462 ' N ' HG13 ' A' ' 40' ' ' ILE . 49.4 t80 -51.88 -38.31 55.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 110.16 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 85.3 mt -63.04 -17.31 62.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 110.74 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.26 -36.78 16.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.119 -0.988 . . . . 0.0 110.846 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 44' ' ' LEU . 3.8 mm? -75.63 -43.4 48.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.091 -1.006 . . . . 0.0 110.962 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.4 pt -54.5 -23.51 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.011 -1.055 . . . . 0.0 110.157 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 50' ' ' MET . 52.6 t -78.68 -27.69 45.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.268 -0.895 . . . . 0.0 110.311 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.99 -45.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.295 -0.878 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 49' ' ' VAL . 32.8 pt -74.61 -34.67 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.3 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 45' ' ' ILE . 66.0 t -65.78 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.914 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 46' ' ' CYS . 93.0 mmm -80.71 -10.6 59.72 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.334 -0.854 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.93 -32.4 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.025 -1.047 . . . . 0.0 110.41 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.207 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.774 0.797 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 40.7 p-10 -168.52 -32.56 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.418 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.6 ptpt -112.17 -15.91 13.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.908 -1.12 . . . . 0.0 111.086 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.587 HG13 ' HG2' ' A' ' 5' ' ' GLN . 8.4 p -97.78 -24.41 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.587 ' HG2' HG13 ' A' ' 4' ' ' VAL . 98.7 mm-40 -90.93 -58.62 2.41 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.956 -1.09 . . . . 0.0 110.503 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.07 -21.19 66.42 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.17 -0.956 . . . . 0.0 110.57 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 62.7 tp -74.71 -58.62 3.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -55.73 -32.62 63.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 0.0 109.916 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 56.8 ttp180 -52.61 -36.36 56.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.339 -0.851 . . . . 0.0 110.011 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -81.26 -17.12 50.52 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.177 -0.952 . . . . 0.0 110.189 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.69 -36.62 12.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.18 -0.95 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.526 HG23 ' N ' ' A' ' 13' ' ' ARG . 8.3 tp -72.84 -42.1 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.212 -0.93 . . . . 0.0 110.069 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -67.15 -42.35 84.52 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -57.29 -28.77 63.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.332 -0.855 . . . . 0.0 109.908 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.657 ' HA ' HG22 ' A' ' 18' ' ' ILE . . . -98.83 -35.32 10.16 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 79.0 p -75.03 -2.43 27.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.954 -1.092 . . . . 0.0 110.818 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.485 ' O ' HG22 ' A' ' 17' ' ' THR . 96.9 m -124.53 2.33 8.32 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.07 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.907 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -113.99 -29.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.743 ' HG3' HG23 ' A' ' 18' ' ' ILE . 55.2 mt-10 -99.75 -25.87 14.23 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.12 -0.987 . . . . 0.0 110.187 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.544 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 48.3 ttm -139.82 63.87 26.9 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 0.0 109.956 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -81.58 -61.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.685 1.36 . . . . 0.0 110.978 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -57.11 -38.42 73.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 20' ' ' MET . 53.5 tt0 -76.0 -47.36 25.19 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.141 -0.974 . . . . 0.0 110.267 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 20' ' ' MET . . . -52.83 -41.41 64.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 109.379 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.04 -35.59 67.07 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.468 -0.77 . . . . 0.0 109.457 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.41 -51.1 9.83 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.566 -0.709 . . . . 0.0 109.946 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.65 -27.12 67.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.482 -0.761 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.854 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -54.12 -32.86 56.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -58.61 -43.45 89.59 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.925 . . . . 0.0 110.443 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.477 ' HA ' HG22 ' A' ' 33' ' ' ILE . 43.9 t30 -67.59 -44.92 76.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.975 . . . . 0.0 110.738 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.8 tp -52.84 -31.95 41.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.022 -1.049 . . . . 0.0 110.109 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -63.55 1.23 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.366 -0.834 . . . . 0.0 109.976 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 30' ' ' ASN . 7.6 tp -53.93 -35.28 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.84 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.6 ' O ' HG22 ' A' ' 38' ' ' ILE . 45.3 t30 -70.13 -52.2 25.47 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.248 -0.907 . . . . 0.0 110.285 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 49.0 t80 -61.88 -31.64 71.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.261 -0.899 . . . . 0.0 110.533 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.43 -46.13 74.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 110.747 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -74.1 -47.8 33.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 34' ' ' ASN . 7.6 tp -59.03 -26.32 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.012 -1.055 . . . . 0.0 110.277 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.84 -18.08 63.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.188 -0.945 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 pt -121.96 -21.87 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 110.822 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 45' ' ' ILE . 45.7 t80 -62.8 -26.93 68.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 110.523 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 45' ' ' ILE . 89.8 mt -56.58 -31.19 63.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.149 -0.969 . . . . 0.0 110.439 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 43' ' ' LEU . 2.5 tm? -91.24 -36.37 13.95 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.153 -0.967 . . . . 0.0 108.559 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.778 ' O ' HD23 ' A' ' 44' ' ' LEU . 4.9 tt -54.08 -38.15 64.99 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.447 -0.783 . . . . 0.0 109.583 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 49' ' ' VAL . 33.5 pt -72.92 -27.75 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.292 -0.88 . . . . 0.0 110.18 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' MET . 74.4 m -58.15 -19.79 35.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 0.0 110.758 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.669 HD12 ' N ' ' A' ' 47' ' ' ILE . 1.9 mp -76.24 -57.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.87 HD13 ' O ' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -60.62 -31.8 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.24 -0.912 . . . . 0.0 109.025 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 45' ' ' ILE . 97.7 t -73.46 -31.95 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.354 -0.841 . . . . 0.0 109.188 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 49.2 ttp -59.85 -20.3 56.2 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.476 -0.765 . . . . 0.0 110.66 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.17 12.53 28.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.915 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.018 . . . . 0.0 110.076 179.731 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.901 0.858 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 62.4 t0 -147.57 -44.39 0.17 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.289 0.566 . . . . 0.0 110.088 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -108.84 -21.07 12.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.169 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.01 -26.19 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.927 . . . . 0.0 110.028 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 19.6 pt20 -78.46 -42.76 28.96 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.192 -0.942 . . . . 0.0 110.825 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.473 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 43.0 m-85 -68.27 -44.19 76.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.898 -1.126 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.671 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.1 tm? -59.29 -49.68 76.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.662 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.0 m -65.45 -38.72 90.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.548 ' NE ' ' HA ' ' A' ' 9' ' ' ARG . 8.3 tpm_? -54.82 -48.59 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 0.0 109.447 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.0 p -73.99 -18.03 60.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.458 -0.776 . . . . 0.0 109.993 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.32 -14.02 56.02 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.255 -0.903 . . . . 0.0 110.812 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' SER . 60.7 mt -124.12 -33.78 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 O-C-N 121.038 -1.039 . . . . 0.0 110.936 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 4.7 tmm_? -54.35 -39.79 67.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.067 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -75.51 -17.12 60.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.284 -0.885 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.05 10.62 13.09 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.099 -1.0 . . . . 0.0 110.775 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' ILE . 67.7 m -140.11 7.0 2.2 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.097 -1.002 . . . . 0.0 111.811 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -126.42 -25.51 3.46 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.181 -0.949 . . . . 0.0 110.238 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 tp -101.45 -17.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 O-C-N 121.027 -1.045 . . . . 0.0 109.93 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.59 -2.35 7.92 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 49.7 ttm -160.84 63.86 1.9 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.965 . . . . 0.0 109.267 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 20' ' ' MET . 48.6 Cg_endo -83.24 -48.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.828 1.436 . . . . 0.0 110.477 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 26.1 mt-30 -60.09 -48.8 80.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.851 . . . . 0.0 110.348 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.459 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.0 tp-100 -69.92 -51.35 33.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.229 -0.92 . . . . 0.0 110.135 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -51.03 -37.36 44.76 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.992 -1.068 . . . . 0.0 109.703 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -60.39 -43.06 97.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.347 -0.845 . . . . 0.0 109.392 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 98.9 mm-40 -67.93 -55.95 10.85 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 110.09 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -56.97 -31.09 64.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.243 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.9 -29.67 70.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.95 -31.68 67.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -60.48 -43.67 96.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.904 . . . . 0.0 110.635 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.99 -31.67 42.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.952 . . . . 0.0 110.365 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -70.28 -60.77 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.364 -0.835 . . . . 0.0 110.259 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 33' ' ' ILE . 67.6 mt -61.77 -32.28 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.202 -0.936 . . . . 0.0 110.178 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.29 -50.99 71.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.664 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' HA ' HG22 ' A' ' 38' ' ' ILE . 1.1 t80 -57.19 -46.62 82.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.416 -0.802 . . . . 0.0 109.399 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 82.6 m -61.1 -22.53 64.73 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.265 -0.897 . . . . 0.0 110.331 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 37' ' ' LEU . 6.8 tt -89.98 -45.81 8.94 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.372 -0.83 . . . . 0.0 110.504 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 35' ' ' PHE . 11.5 tt -71.24 -19.07 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.258 -0.901 . . . . 0.0 110.739 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -72.07 -19.24 61.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.307 -0.871 . . . . 0.0 111.124 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 41' ' ' PHE . 27.6 pt -131.39 -36.55 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.926 -1.109 . . . . 0.0 111.012 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.44 ' N ' HG13 ' A' ' 40' ' ' ILE . 49.1 t80 -55.14 -23.69 22.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.443 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 45' ' ' ILE . 51.8 tp -85.11 -62.89 1.43 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.244 -0.91 . . . . 0.0 110.48 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.9 pp -61.58 -13.54 22.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.26 -0.9 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.76 ' N ' HD12 ' A' ' 43' ' ' LEU . 53.5 tp -87.04 -57.04 3.12 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 120.953 -1.092 . . . . 0.0 110.915 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' ' 49' ' ' VAL . 31.9 pt -53.85 -21.88 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.267 -0.896 . . . . 0.0 110.842 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 50' ' ' MET . 51.3 t -59.19 -33.44 70.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.133 -0.979 . . . . 0.0 110.699 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 47' ' ' ILE . 2.1 mp -82.06 -20.66 10.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.3 mt -90.77 -39.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.235 -0.916 . . . . 0.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 50' ' ' MET . 12.0 p -63.93 -41.63 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.232 -0.918 . . . . 0.0 110.348 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.54 ' N ' HG13 ' A' ' 49' ' ' VAL . 92.0 mmm -59.23 -17.45 28.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.08 -1.013 . . . . 0.0 110.655 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.5 mt -97.12 -42.4 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.026 -1.046 . . . . 0.0 110.335 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.248 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.822 0.82 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.02 -41.22 2.55 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.4 0.619 . . . . 0.0 109.655 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -112.77 -29.99 7.22 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.386 -0.821 . . . . 0.0 109.985 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.79 -32.88 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 25.5 pt20 -68.88 -41.27 78.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.914 . . . . 0.0 110.356 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.476 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 6.6 t80 -83.81 -36.23 23.66 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.097 -1.002 . . . . 0.0 109.772 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.816 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.5 tt -55.81 -35.44 66.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 109.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -74.26 -33.14 63.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.096 -1.003 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.74 -35.5 22.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 110.172 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.8 p -63.66 -16.55 61.29 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.472 -0.767 . . . . 0.0 110.054 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.97 -21.69 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.19 -0.944 . . . . 0.0 110.791 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 12' ' ' ILE . 2.6 mp -92.3 -43.36 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.017 -1.052 . . . . 0.0 110.66 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -54.18 -41.22 68.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.044 -1.035 . . . . 0.0 110.125 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -57.52 -19.21 23.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.28 -14.77 21.14 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.156 -0.965 . . . . 0.0 111.111 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -133.88 17.52 3.85 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.995 -1.065 . . . . 0.0 111.081 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.6 m -127.6 -26.84 2.93 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.141 -0.974 . . . . 0.0 110.567 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -97.03 -17.37 6.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 O-C-N 120.987 -1.071 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -103.22 -31.67 9.99 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 111.16 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.509 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 67.2 mtm -128.78 51.4 7.24 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 20' ' ' MET . 46.1 Cg_endo -73.77 -21.34 18.97 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 O-C-N 123.637 1.336 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 3.6 mm100 -102.65 -32.76 9.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 53.8 tt0 -83.47 -42.73 16.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.078 -1.013 . . . . 0.0 110.256 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 20' ' ' MET . . . -61.94 -44.7 96.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 109.584 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -59.67 -51.47 69.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.329 -0.857 . . . . 0.0 109.784 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 11.0 mm100 -69.36 -49.89 51.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 20.0 t-20 -49.99 -30.42 10.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.475 -0.766 . . . . 0.0 110.367 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.816 ' O ' HD13 ' A' ' 28' ' ' LEU . 2.1 tm? -54.47 -35.2 62.78 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.355 -0.841 . . . . 0.0 109.428 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -70.12 -31.31 68.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.0 110.491 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.556 ' HA ' HG22 ' A' ' 33' ' ' ILE . 45.2 t30 -59.02 -32.19 69.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.0 110.5 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.41 -31.34 71.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.206 -0.934 . . . . 0.0 110.273 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.92 -53.02 7.15 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.19 -0.944 . . . . 0.0 110.381 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 30' ' ' ASN . 12.4 tt -63.93 -37.86 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.152 -0.967 . . . . 0.0 109.785 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' N ' HG23 ' A' ' 33' ' ' ILE . 43.7 t30 -62.83 -43.46 98.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 110.236 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.513 ' HA ' HG22 ' A' ' 38' ' ' ILE . 47.3 t80 -55.57 -35.64 65.99 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.3 t -69.2 -29.8 67.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.086 -1.009 . . . . 0.0 109.727 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.691 ' C ' HD23 ' A' ' 37' ' ' LEU . 6.6 tt -80.9 -42.6 21.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.419 -0.801 . . . . 0.0 110.149 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 35' ' ' PHE . 8.3 tp -77.22 -15.77 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 110.431 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' C ' HG23 ' A' ' 40' ' ' ILE . 48.0 tp -62.99 -14.51 48.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.307 -0.871 . . . . 0.0 110.952 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.736 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -150.1 -34.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.886 -1.134 . . . . 0.0 111.373 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.74 ' O ' HG23 ' A' ' 45' ' ' ILE . 48.0 t80 -49.62 -30.83 9.54 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.896 -1.128 . . . . 0.0 110.504 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -58.18 -18.2 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.83 ' N ' HD12 ' A' ' 42' ' ' LEU . 2.9 tm? -93.41 -42.77 9.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.106 -0.996 . . . . 0.0 109.473 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 47' ' ' ILE . 93.4 mt -61.69 -36.73 81.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.833 . . . . 0.0 110.665 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 41' ' ' PHE . 28.6 pt -55.97 -23.34 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.271 -0.893 . . . . 0.0 110.932 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.44 -58.11 3.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.913 -1.117 . . . . 0.0 111.238 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.598 HG13 HG23 ' A' ' 48' ' ' ILE . 31.0 pt -62.0 -21.88 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.12 -0.988 . . . . 0.0 111.671 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.763 HG13 HG23 ' A' ' 49' ' ' VAL . 28.7 pt -94.59 -37.05 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.715 -1.241 . . . . 0.0 111.093 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.763 HG23 HG13 ' A' ' 48' ' ' ILE . 94.6 t -87.59 -11.95 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.0 -1.063 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.8 tpt -81.64 -16.46 51.36 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 120.956 -1.09 . . . . 0.0 110.401 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.78 -8.24 41.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.669 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.198 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.734 0.778 . . . . 0.0 109.748 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 3.0 p30 -117.38 -23.46 7.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 15.0 ptmm? -105.09 -37.32 6.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.298 -0.876 . . . . 0.0 110.025 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 98.0 t -50.1 -24.96 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.146 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 9' ' ' ARG . 95.3 mm-40 -76.5 -52.21 10.24 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 110.333 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 6' ' ' TYR . 9.8 m-30 -60.87 -48.08 83.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.143 -0.973 . . . . 0.0 110.788 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 7' ' ' LEU . 4.4 mm? -59.11 -48.64 80.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.13 -0.981 . . . . 0.0 109.951 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -67.75 -57.28 6.61 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.281 -0.887 . . . . 0.0 109.742 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 5' ' ' GLN . 47.2 mmt-85 -52.92 -38.5 61.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.392 -0.818 . . . . 0.0 109.944 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 93.3 p -71.1 -23.4 62.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.261 -0.899 . . . . 0.0 109.598 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 -33.56 51.69 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.329 -0.857 . . . . 0.0 110.526 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 12' ' ' ILE . 7.0 tp -95.65 -22.8 5.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.157 -0.964 . . . . 0.0 110.335 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' CD ' ' OG1' ' A' ' 17' ' ' THR . 14.2 tpp85 -60.49 -24.11 65.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.213 -0.929 . . . . 0.0 109.881 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 83.6 mtm180 -63.84 -24.03 67.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.366 -0.834 . . . . 0.0 110.113 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.33 -38.01 7.82 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.183 -0.948 . . . . 0.0 110.124 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -73.89 -2.73 25.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -127.05 -2.79 6.43 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.998 -1.064 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 47.9 mm -115.17 -15.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 O-C-N 121.011 -1.056 . . . . 0.0 109.761 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.27 -31.73 12.77 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.25 -0.906 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 80.3 mtp -135.56 51.2 5.25 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.812 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 20' ' ' MET . 45.2 Cg_endo -72.71 -39.52 2.49 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 O-C-N 123.722 1.38 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -73.94 -50.25 20.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 110.533 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -63.09 -52.8 61.26 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.079 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' MET . . . -53.67 -37.7 63.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.965 . . . . 0.0 109.783 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -63.56 -47.88 79.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.939 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -65.35 -54.74 24.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.351 -0.843 . . . . 0.0 110.253 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' HB2' ' OE1' ' A' ' 23' ' ' GLN . 0.7 OUTLIER -50.38 -36.1 31.16 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.469 -0.769 . . . . 0.0 110.269 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.63 -31.67 37.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.182 -0.948 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -71.17 -15.45 62.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 110.72 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -48.36 16.75 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.057 -1.027 . . . . 0.0 110.735 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 58.3 tp -51.88 -29.91 21.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 110.513 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HB3' HD12 ' A' ' 33' ' ' ILE . 6.1 t80 -62.07 -41.37 98.09 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.303 -0.873 . . . . 0.0 110.053 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.735 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.3 mp -83.58 -50.22 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.618 ' O ' HG22 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -52.86 -34.9 56.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.761 179.531 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CE1' HD11 ' A' ' 39' ' ' LEU . 5.7 t80 -65.13 -41.94 94.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.27 -0.894 . . . . 0.0 110.011 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.791 ' O ' HD13 ' A' ' 40' ' ' ILE . 53.4 t -81.51 -6.92 59.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.218 -0.927 . . . . 0.0 110.762 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD13 ' O ' ' A' ' 37' ' ' LEU . 2.9 tm? -107.26 -32.71 7.67 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.02 -1.05 . . . . 0.0 109.332 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 34' ' ' ASN . 8.5 tp -72.84 -37.1 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 110.232 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 35' ' ' PHE . 90.3 mt -68.53 -23.11 64.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.968 . . . . 0.0 110.813 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 36' ' ' CYS . 2.1 mp -96.7 -34.54 5.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.041 -1.037 . . . . 0.0 110.34 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.67 -45.4 92.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 110.641 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.742 HD12 ' N ' ' A' ' 43' ' ' LEU . 4.0 pp -61.37 -15.74 39.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 110.99 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.803 ' O ' HD23 ' A' ' 43' ' ' LEU . 5.5 tt -92.47 -37.42 12.54 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.07 -1.019 . . . . 0.0 109.681 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 48' ' ' ILE . 90.5 mt -69.36 -46.12 67.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 110.724 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' HD11 ' A' ' 48' ' ' ILE . 31.2 pt -58.44 -27.24 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.819 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.0 t -77.38 -28.56 52.87 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.119 -0.988 . . . . 0.0 111.056 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 44' ' ' LEU . 34.6 pt -96.9 3.9 9.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.05 -1.031 . . . . 0.0 111.391 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.64 HG13 HG23 ' A' ' 49' ' ' VAL . 31.8 pt -117.59 -26.0 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.841 -1.162 . . . . 0.0 110.179 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.64 HG23 HG13 ' A' ' 48' ' ' ILE . 91.9 t -91.31 -29.66 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 110.182 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ptm -64.93 -17.57 64.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.12 -0.988 . . . . 0.0 110.213 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.686 ' C ' HD12 ' A' ' 51' ' ' LEU . 2.6 pp -121.96 19.37 10.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 110.45 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 C--N 1.304 -1.398 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.008 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 1' ' ' MET . 14.9 tpt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.462 0.648 . . . . 0.0 110.204 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -119.65 -8.99 9.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.892 -1.13 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -112.42 -31.78 6.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 0.0 110.628 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.06 -22.44 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.155 -0.966 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -81.57 -67.11 0.81 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.189 -0.944 . . . . 0.0 110.644 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 9.8 m-30 -53.96 -31.86 51.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.255 -0.903 . . . . 0.0 110.704 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' ALA . 57.2 tp -71.72 -56.6 5.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -58.01 -43.08 86.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.293 -0.879 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.65 -23.6 4.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.21 -0.931 . . . . 0.0 110.443 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -121.87 -8.86 8.86 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.316 -0.865 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' HD13 ' A' ' 12' ' ' ILE . . . -95.32 -13.04 25.12 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.005 -1.059 . . . . 0.0 110.843 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 11' ' ' ALA . 46.1 mm -130.38 -33.8 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 121.015 -1.053 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.44 -57.11 10.18 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.883 -1.136 . . . . 0.0 109.827 -179.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.501 ' O ' HG21 ' A' ' 18' ' ' ILE . 17.1 ptm180 -85.15 9.94 13.57 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.127 -0.983 . . . . 0.0 110.64 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.89 -14.76 8.0 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 121.094 -1.004 . . . . 0.0 110.757 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -131.92 0.29 3.86 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.976 -1.077 . . . . 0.0 111.79 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 17' ' ' THR . 86.4 m -125.7 1.55 7.49 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.175 -0.953 . . . . 0.0 110.015 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.918 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.73 -27.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 108.767 179.085 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' A' ' 19' ' ' GLU . 44.4 tp10 -103.46 -31.05 10.17 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.19 -0.944 . . . . 0.0 110.473 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -132.82 59.57 43.89 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.304 -0.873 . . . . 0.0 110.439 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.4 -34.17 6.19 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.699 1.368 . . . . 0.0 110.209 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.24 -38.78 30.32 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -74.27 -51.55 14.96 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.266 -0.896 . . . . 0.0 109.906 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.96 -43.02 60.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -68.16 -28.99 67.77 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.373 -0.829 . . . . 0.0 108.941 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 4.3 tp-100 -75.9 -61.79 1.81 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.665 -0.647 . . . . 0.0 109.796 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -50.11 -30.13 10.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.521 -0.737 . . . . 0.0 110.617 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.04 -25.39 2.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.884 . . . . 0.0 110.706 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -56.21 -21.34 22.59 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.214 -0.929 . . . . 0.0 110.492 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.482 ' HA ' HG22 ' A' ' 33' ' ' ILE . 3.6 m120 -54.45 -39.19 67.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.485 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 58.9 tp -55.23 -32.16 62.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -59.2 2.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.249 -0.907 . . . . 0.0 110.283 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 30' ' ' ASN . 10.9 tt -56.86 -23.04 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.22 -0.925 . . . . 0.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -74.72 -62.6 1.48 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.218 -0.927 . . . . 0.0 110.344 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 13.1 m-30 -56.95 -18.75 14.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.869 . . . . 0.0 110.761 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.53 -40.74 20.58 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.977 -1.077 . . . . 0.0 110.606 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.8 mt -84.42 -35.42 23.09 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 110.875 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.8 mm -68.0 -34.05 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 110.765 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 35' ' ' PHE . 93.3 mt -78.04 -18.86 55.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 110.777 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.9 mt -105.5 -33.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.104 -0.997 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.56 -40.05 86.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.204 -0.935 . . . . 0.0 110.471 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.24 -43.79 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 109.799 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 46' ' ' CYS . 59.5 tp -74.23 -31.63 62.68 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.279 -0.888 . . . . 0.0 109.961 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.615 HD13 ' C ' ' A' ' 44' ' ' LEU . 2.7 tm? -63.62 -54.1 41.11 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.259 -0.9 . . . . 0.0 110.212 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.7 pt -60.11 -22.88 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.127 -0.983 . . . . 0.0 110.731 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 53.6 t -57.16 -39.51 75.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.721 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.71 ' O ' HD13 ' A' ' 51' ' ' LEU . 63.1 mt -59.32 -22.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.154 -0.966 . . . . 0.0 110.654 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.2 mt -92.02 -29.56 4.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.282 -0.886 . . . . 0.0 110.522 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.3 t -73.11 -39.28 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.28 -0.888 . . . . 0.0 110.31 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.668 ' C ' HD12 ' A' ' 51' ' ' LEU . 83.9 mtp -62.24 -20.1 63.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 110.492 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.739 HD12 ' N ' ' A' ' 51' ' ' LEU . 6.7 mp -110.46 -57.9 2.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.068 -1.02 . . . . 0.0 110.292 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 52' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.124 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptp . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.838 0.828 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 2.7 p30 -167.39 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.616 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 19.4 ptpt -113.84 -25.47 8.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.871 -1.143 . . . . 0.0 110.305 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.426 HG23 HE21 ' A' ' 5' ' ' GLN . 35.6 m -72.04 -23.61 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.146 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.426 HE21 HG23 ' A' ' 4' ' ' VAL . 98.1 mm-40 -77.95 -58.4 3.28 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.232 -0.918 . . . . 0.0 110.022 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 47.6 t80 -59.26 -33.25 70.81 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.196 -0.94 . . . . 0.0 110.065 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.83 -52.66 62.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 110.167 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -68.47 -25.58 65.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.227 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 10.9 tpt180 -48.46 -33.56 9.57 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.36 -0.837 . . . . 0.0 110.01 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -64.21 -28.17 69.56 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.502 -0.749 . . . . 0.0 109.601 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.63 -31.72 32.28 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.276 -0.89 . . . . 0.0 109.852 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -71.08 -50.43 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -61.77 -21.02 64.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 0.0 110.393 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 tpt85 -63.8 -22.57 66.98 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.16 -0.963 . . . . 0.0 109.728 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.16 -24.58 6.93 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.327 -0.858 . . . . 0.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 t -95.84 23.66 6.11 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.182 -0.949 . . . . 0.0 110.925 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.3 m -127.77 -11.78 5.46 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.114 -0.991 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.04 -28.87 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.035 -1.041 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -116.61 -18.67 10.27 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.306 -0.871 . . . . 0.0 110.41 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.533 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.1 tpt -63.22 -43.79 81.61 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.943 . . . . 0.0 111.232 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 20' ' ' MET . 45.3 Cg_endo -74.78 -49.28 0.16 Allowed 'Trans proline' 0 C--N 1.319 -1.01 0 O-C-N 122.877 0.935 . . . . 0.0 110.147 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -57.16 -32.11 66.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 109.652 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.42 -42.08 17.38 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.404 -0.81 . . . . 0.0 109.914 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.49 -41.04 63.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.09 -50.31 73.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.458 -0.777 . . . . 0.0 109.291 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -72.07 -53.9 11.46 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.446 -0.784 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -54.58 -20.47 8.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.497 -0.752 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.835 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.6 tt -50.59 -32.79 19.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -0.988 . . . . 0.0 109.761 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 30' ' ' ASN . 19.2 pt20 -54.06 -37.09 63.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.109 -0.995 . . . . 0.0 109.505 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 74.9 m-20 -78.28 -39.67 39.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.45 -0.781 . . . . 0.0 110.255 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -53.27 -33.89 55.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 109.752 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -58.52 -61.43 2.6 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.42 -0.8 . . . . 0.0 109.799 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -68.15 -37.13 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.402 -0.811 . . . . 0.0 109.942 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -55.3 -45.14 76.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.148 -0.97 . . . . 0.0 109.331 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.42 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 5.8 t80 -62.97 -28.85 70.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.451 -0.781 . . . . 0.0 109.091 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.446 ' CA ' HD22 ' A' ' 39' ' ' LEU . 75.7 m -96.31 1.94 52.38 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.462 -0.774 . . . . 0.0 110.536 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 42' ' ' LEU . 50.9 tp -118.42 -12.08 9.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.088 -1.007 . . . . 0.0 110.939 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.755 ' HA ' HD23 ' A' ' 42' ' ' LEU . 50.7 mm -114.24 -20.86 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.919 -1.113 . . . . 0.0 110.07 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 39' ' ' LEU . 2.2 pt? -55.63 -17.18 5.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.348 -0.845 . . . . 0.0 111.181 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.569 HG22 ' HG ' ' A' ' 39' ' ' LEU . 10.4 tt -167.04 -31.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.747 -1.22 . . . . 0.0 112.706 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 58.4 m-85 -58.83 -18.16 30.04 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.616 -1.302 . . . . 0.0 111.428 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 38' ' ' ILE . 4.3 mm? -93.49 -18.23 22.52 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.823 -1.173 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 57.8 tp -90.74 -50.37 5.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.265 -0.897 . . . . 0.0 109.939 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.739 ' O ' HD23 ' A' ' 44' ' ' LEU . 4.6 tt -56.46 -41.56 76.72 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.261 -0.9 . . . . 0.0 110.054 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.913 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -54.48 -27.61 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.155 -0.966 . . . . 0.0 110.032 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.563 ' HA ' HG22 ' A' ' 49' ' ' VAL . 41.9 t -75.89 -14.18 60.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.047 -1.033 . . . . 0.0 111.266 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 44' ' ' LEU . 1.8 mp -77.68 -27.1 15.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.93 -1.107 . . . . 0.0 110.031 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 45' ' ' ILE . 40.6 pt -93.31 -25.45 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 45' ' ' ILE . 19.3 m -73.71 -35.46 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.031 -1.043 . . . . 0.0 109.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.443 ' HG2' HG23 ' A' ' 49' ' ' VAL . 92.8 mmm -73.07 -16.04 61.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.442 -0.786 . . . . 0.0 110.963 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -122.88 -48.23 2.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 110.692 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' ILE . 84.1 mt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.435 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 tpp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.085 0.469 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.27 -0.57 12.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.874 -1.141 . . . . 0.0 110.389 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 19.3 ptpt -113.3 -30.36 6.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.91 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.669 HG13 HE21 ' A' ' 5' ' ' GLN . 8.2 p -83.19 -13.66 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.903 . . . . 0.0 110.108 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.669 HE21 HG13 ' A' ' 4' ' ' VAL . 98.5 mm-40 -80.36 -69.57 0.58 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.227 -0.92 . . . . 0.0 110.193 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 9.9 m-30 -58.56 -35.12 71.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 64.6 tp -56.28 -45.04 80.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 91.1 m -70.05 -34.07 72.76 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.35 -0.844 . . . . 0.0 110.426 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -51.21 -40.82 59.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.114 -0.991 . . . . 0.0 109.969 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -64.76 -20.69 66.5 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.385 -0.822 . . . . 0.0 109.502 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -82.08 -21.75 36.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.241 -0.912 . . . . 0.0 110.107 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.57 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.329 -0.857 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 11.2 tpt180 -53.71 -39.95 65.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.751 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 50.4 ttt-85 -53.43 -29.83 37.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 110.676 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.24 -34.66 9.15 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.171 -0.955 . . . . 0.0 111.199 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 13' ' ' ARG . 82.8 p -76.45 -0.18 22.0 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.035 -1.041 . . . . 0.0 111.121 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 17' ' ' THR . 86.8 m -125.1 14.01 8.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 109.814 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 14' ' ' ARG . 46.9 mm -123.68 -24.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.371 -0.83 . . . . 0.0 110.24 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -118.54 -13.29 9.7 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 121.09 -1.006 . . . . 0.0 110.661 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.542 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 57.2 ttp -56.98 -43.35 99.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 0.0 111.9 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 20' ' ' MET . 43.1 Cg_endo -72.81 -39.83 2.23 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 122.847 0.92 . . . . 0.0 110.589 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -69.05 -33.99 74.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.1 tp-100 -83.28 -41.81 17.89 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.294 -0.878 . . . . 0.0 110.029 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.3 65.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 109.4 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.41 -43.11 79.02 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.414 -0.804 . . . . 0.0 109.327 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 3.7 mm100 -72.32 -49.94 30.72 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.589 -0.695 . . . . 0.0 109.803 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -61.82 -19.07 62.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.551 -0.718 . . . . 0.0 110.439 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.29 -39.51 67.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.117 -0.99 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.76 -37.31 87.16 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.275 -0.891 . . . . 0.0 110.022 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.88 -33.96 72.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.363 -0.836 . . . . 0.0 110.134 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.47 -27.27 65.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.386 -0.821 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -81.83 -33.15 30.85 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.191 -0.943 . . . . 0.0 110.384 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.0 mt -79.66 -42.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.216 -0.927 . . . . 0.0 110.43 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -63.94 -48.26 77.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.855 . . . . 0.0 110.462 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.539 ' HA ' HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -59.14 -48.89 79.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 109.758 -179.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.14 -25.99 62.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.007 -1.058 . . . . 0.0 109.691 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.666 ' C ' HD23 ' A' ' 37' ' ' LEU . 6.4 tt -80.8 -52.6 7.33 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.459 -0.776 . . . . 0.0 109.805 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' PHE . 9.2 tp -69.61 -14.54 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.22 -0.925 . . . . 0.0 110.773 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 tp -71.62 -24.89 61.96 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.184 -0.947 . . . . 0.0 111.563 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.536 ' C ' HD23 ' A' ' 42' ' ' LEU . 26.2 pt -128.97 -38.41 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.741 -1.224 . . . . 0.0 111.104 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' HA ' HD23 ' A' ' 44' ' ' LEU . 42.6 m-85 -66.08 -14.93 62.58 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 110.498 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 42' ' ' LEU . 2.7 pt? -55.93 -34.15 65.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.943 -1.098 . . . . 0.0 109.683 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 61.5 tp -78.78 -26.9 44.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.059 -1.025 . . . . 0.0 110.207 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.667 HD22 ' N ' ' A' ' 44' ' ' LEU . 3.7 mm? -75.29 -44.75 43.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.453 -0.78 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HA ' HD11 ' A' ' 48' ' ' ILE . 29.8 pt -65.81 -22.82 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.111 -0.993 . . . . 0.0 110.089 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.11 -52.44 7.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 111.562 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 51' ' ' LEU . 33.7 pt -55.1 -22.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.876 -1.14 . . . . 0.0 110.97 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.674 HG13 HG23 ' A' ' 49' ' ' VAL . 34.6 pt -92.23 -31.81 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.044 -1.035 . . . . 0.0 110.5 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.674 HG23 HG13 ' A' ' 48' ' ' ILE . 98.3 t -91.64 -38.92 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 110.225 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mmt -63.58 -24.28 67.73 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 110.347 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 47' ' ' ILE . 90.4 mt -97.29 -7.22 32.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.362 -0.836 . . . . 0.0 110.567 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.088 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG3' ' CG2' ' A' ' 4' ' ' VAL . 51.9 ttp . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.539 0.685 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 12.0 p-10 -169.36 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 109.914 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' NZ ' HD11 ' A' ' 7' ' ' LEU . 57.0 tttm -86.34 -35.59 19.75 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.401 -0.812 . . . . 0.0 110.327 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 1' ' ' MET . 27.8 m -64.44 -24.29 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -72.5 -53.93 10.67 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.413 -0.804 . . . . 0.0 110.305 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 2' ' ' ASP . 42.7 m-85 -58.58 -47.92 82.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.079 -1.013 . . . . 0.0 110.083 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.488 HD11 ' NZ ' ' A' ' 3' ' ' LYS . 93.3 mt -56.62 -42.01 78.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 0.0 110.143 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -64.37 -55.35 21.74 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.941 . . . . 0.0 109.874 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 41.2 ttm-85 -51.94 -34.56 42.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.279 -0.888 . . . . 0.0 109.877 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 48.0 t -76.13 -16.15 59.94 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.893 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.33 -40.96 8.87 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 121.302 -0.874 . . . . 0.0 109.984 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 13' ' ' ARG . 7.4 tp -63.69 -38.2 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.298 -0.876 . . . . 0.0 110.215 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' N ' HG23 ' A' ' 12' ' ' ILE . 20.3 mmt85 -64.79 -23.35 67.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.054 -1.028 . . . . 0.0 110.215 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.778 ' HA ' HD13 ' A' ' 18' ' ' ILE . 44.2 mmt-85 -77.03 -17.85 58.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 110.493 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.16 0.96 16.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.144 -0.972 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.0 p -123.73 -6.0 8.03 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.025 -1.047 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.608 ' C ' HD12 ' A' ' 18' ' ' ILE . 95.2 m -125.57 -14.99 6.2 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.331 -0.856 . . . . 0.0 110.038 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.778 HD13 ' HA ' ' A' ' 14' ' ' ARG . 2.5 mp -107.71 -10.5 10.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.17 -0.956 . . . . 0.0 109.704 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -118.79 -31.43 4.81 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.019 -1.051 . . . . 0.0 110.462 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 83.3 mtp -141.12 65.82 23.36 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.224 -0.923 . . . . 0.0 110.389 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -87.01 -80.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.669 1.352 . . . . 0.0 111.013 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.2 pt20 -56.73 -24.67 51.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 111.029 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -82.4 -62.07 1.72 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.91 -1.119 . . . . 0.0 110.345 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 20' ' ' MET . . . -50.38 -39.49 46.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.955 -1.09 . . . . 0.0 110.224 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.97 -55.59 18.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.214 -0.929 . . . . 0.0 110.119 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 13.4 mm100 -64.86 -50.82 65.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.337 -0.852 . . . . 0.0 110.291 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -55.15 -35.0 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.479 -0.763 . . . . 0.0 111.164 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.834 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.7 tt -56.08 -33.95 65.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.817 -1.177 . . . . 0.0 109.785 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.54 -37.63 22.76 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.245 -0.91 . . . . 0.0 110.226 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -53.42 -33.32 53.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.0 110.194 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.917 HD12 ' CE1' ' A' ' 35' ' ' PHE . 57.8 tp -58.37 -32.13 68.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.278 -0.889 . . . . 0.0 110.083 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -78.55 -40.55 34.57 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.365 -0.834 . . . . 0.0 110.949 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.1 mp -81.12 -45.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.033 -1.042 . . . . 0.0 109.928 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -53.01 -37.37 61.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.254 -0.904 . . . . 0.0 109.96 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.917 ' CE1' HD12 ' A' ' 31' ' ' LEU . 10.0 m-85 -84.14 -21.3 31.42 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.343 -0.848 . . . . 0.0 109.695 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.3 -37.52 37.54 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.774 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 tp -72.52 -51.53 19.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.375 -0.828 . . . . 0.0 110.182 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 39' ' ' LEU . 7.1 tp -56.57 -39.6 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.338 -0.851 . . . . 0.0 110.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.613 ' C ' HD23 ' A' ' 39' ' ' LEU . 4.9 tt -59.0 -52.65 64.86 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.296 -0.877 . . . . 0.0 109.452 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.49 -44.02 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -53.4 -48.85 68.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.793 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.8 tt -54.55 -41.57 69.92 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.309 -0.869 . . . . 0.0 109.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.97 -51.53 69.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.265 -0.897 . . . . 0.0 111.487 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 44' ' ' LEU . 4.1 mm? -65.47 -49.24 69.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 111.303 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.8 mp -72.41 -1.96 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 111.251 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 49' ' ' VAL . 40.9 t -93.82 -28.77 15.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.706 -1.246 . . . . 0.0 110.676 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.06 -13.98 17.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.156 -0.965 . . . . 0.0 110.868 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 49' ' ' VAL . 8.6 tp -99.03 -36.56 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.095 -1.003 . . . . 0.0 110.684 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 46' ' ' CYS . 14.3 p -75.58 -30.67 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.129 -0.982 . . . . 0.0 110.514 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 mmt -74.66 -2.33 25.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -106.8 12.5 28.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 110.661 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.019 -1.051 . . . . 0.0 110.147 179.914 . . . . . . . . 0 0 . 1 stop_ save_