data_2k5f_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 2k5f _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.453 ' HE3' HD22 ' A' ' 6' ' ' LEU . 28.1 ttt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 1.022 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 1.4 mptm? -77.59 152.73 33.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.178 0.513 . . . . 0.0 111.558 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.51 HD12 HD11 ' A' ' 6' ' ' LEU . 28.3 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.161 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -74.81 -13.72 60.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.107 -0.952 . . . . 0.0 111.199 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 1.022 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 50.4 mt-10 -89.48 3.71 51.5 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.964 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.51 HD11 HD12 ' A' ' 3' ' ' LEU . 63.0 mt -79.71 177.91 8.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.269 0.557 . . . . 0.0 111.656 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -115.29 162.68 16.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.965 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.8 104.46 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.88 1.78 28.66 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.099 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.94 163.68 27.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 110.69 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.75 120.36 26.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . . . -140.09 160.26 40.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.117 0.484 . . . . 0.0 111.615 -177.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 74' ' ' LEU . 34.5 tt0 -119.17 128.23 54.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.841 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.13 126.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.003 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.3 p -102.23 -36.64 8.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -160.66 147.55 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.494 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.629 HG13 HG12 ' A' ' 69' ' ' ILE . 59.4 t -122.89 116.2 48.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.84 99.1 8.75 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.64 -175.73 5.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.161 -174.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.564 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 2.6 mm-40 -52.9 142.03 35.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 173.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.564 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 10.2 Cg_endo -58.87 -37.01 95.95 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.375 2.05 . . . . 0.0 111.586 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.6 62.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.153 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.27 -46.67 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 28' ' ' MET . 53.1 ttp180 -59.49 -42.14 91.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.947 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -59.91 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.881 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 78.1 ttt180 -56.84 -45.79 82.14 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.29 -40.84 94.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.81 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 50.2 mtm -74.72 -31.03 61.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.807 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -64.37 -31.45 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.0 mt -72.05 -46.62 56.3 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.02 -1.89 0.7 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.385 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.53 ' O ' ' HG2' ' A' ' 28' ' ' MET . 6.2 tt -83.12 84.51 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 33.9 m -121.82 -174.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.928 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -67.62 115.97 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.62 -1.93 36.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.25 -175.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.466 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.14 126.74 31.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.595 0.236 . . . . 0.0 110.674 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -97.27 128.21 43.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 38' ' ' LEU . 2.1 pt? -139.7 148.25 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.174 0.511 . . . . 0.0 111.62 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -110.29 126.08 53.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.165 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.47 ' HA ' HG12 ' A' ' 52' ' ' VAL . 75.1 t -70.05 104.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -71.66 -61.57 1.73 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.89 0.376 . . . . 0.0 110.356 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -160.02 153.04 21.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.047 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.493 ' HD2' HG12 ' A' ' 50' ' ' ILE . 34.1 m-85 -92.45 153.97 18.79 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 165.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -58.13 155.15 26.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.41 8.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.48 0.7 0 C-N-CA 123.897 3.065 . . . . 0.0 114.381 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 44' ' ' ALA . 89.2 mt -131.34 -36.85 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.77 -25.16 0.83 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.854 177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -151.3 142.36 15.25 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -85.01 -167.52 5.14 Favored 'Cis proline' 0 C--O 1.234 0.313 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.216 1.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.493 HG12 ' HD2' ' A' ' 43' ' ' PHE . 48.8 mt -116.79 136.04 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -103.72 118.11 35.94 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 40' ' ' VAL . 18.5 m -122.65 136.97 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.08 0.467 . . . . 0.0 111.031 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.68 100.27 12.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -107.44 116.08 31.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.97 35.69 22.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.197 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.46 49.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.791 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.3 mtm -97.39 131.48 44.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.854 0.359 . . . . 0.0 110.728 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.73 105.95 13.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.068 0.461 . . . . 0.0 109.91 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.29 126.92 51.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.626 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 m -107.88 120.79 43.28 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.523 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -140.42 171.14 14.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.227 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 5.4 mmt180 -86.59 151.25 23.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.103 -173.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.67 -38.3 77.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.533 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -65.35 -28.43 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.597 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 38.7 mt-10 -71.43 -38.36 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.523 ' HB1' ' HE1' ' A' ' 61' ' ' MET . . . -66.48 -28.96 68.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 44.8 mm-40 -64.05 -40.48 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.113 0.482 . . . . 0.0 110.889 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.43 -18.59 69.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.038 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.629 HG12 HG13 ' A' ' 17' ' ' VAL . 69.8 mt -92.7 128.69 44.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 0.0 111.279 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 1' ' ' MET . 24.6 m -100.78 129.79 46.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.404 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.488 HG11 HD11 ' A' ' 3' ' ' LEU . 27.0 m -122.73 160.4 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 0.0 111.63 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.184 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.7 mm -70.71 126.8 31.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 13' ' ' GLU . 32.3 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 121.471 0.653 . . . . 0.0 111.032 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 14.1 mptt -83.25 146.83 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.287 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.578 HD22 HD11 ' A' ' 69' ' ' ILE . 20.0 tp -65.05 -29.79 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.522 0.677 . . . . 0.0 109.234 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 t -75.34 -11.24 60.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.039 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER -93.76 -2.3 53.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 -178.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 3' ' ' LEU . 62.8 mt -76.86 160.16 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -111.06 169.53 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 108.99 4.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.068 0.461 . . . . 0.0 110.54 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.99 -12.37 20.09 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.212 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.27 137.78 40.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -115.16 122.88 47.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.732 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.93 158.52 43.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.843 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.628 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 15.5 pt-20 -108.19 144.98 34.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.783 0.325 . . . . 0.0 110.162 175.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.4 t -76.35 117.53 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -97.63 -26.81 14.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.65 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.479 ' HB3' ' HB ' ' A' ' 70' ' ' THR . 27.5 t -159.57 157.58 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.644 HG23 HG12 ' A' ' 69' ' ' ILE . 7.6 p -143.08 133.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.13 110.14 9.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.351 . . . . 0.0 110.657 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -164.42 174.06 11.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.116 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.13 146.41 77.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.349 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.58 -40.73 71.91 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.23 2.62 . . . . 0.0 113.124 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.01 86.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.099 0.476 . . . . 0.0 111.059 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.424 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 87.1 t -69.33 -41.88 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.969 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 28' ' ' MET . 35.6 ttm180 -60.88 -47.53 85.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.748 178.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -57.66 -41.09 80.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.617 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.459 HH11 ' HD3' ' A' ' 26' ' ' ARG . 16.9 ttt180 -61.73 -46.33 90.1 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 176.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.2 mt -62.33 -42.74 99.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.569 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.3 mtp -61.51 -38.12 86.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.15 -30.37 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.66 0.41 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.837 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.86 17.01 53.43 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.759 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 tt -98.37 93.95 6.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.243 0.544 . . . . 0.0 109.718 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.72 178.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.547 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -66.1 122.58 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -18.12 40.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.79 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 133.1 46.13 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HG2' ' HB3' ' A' ' 13' ' ' GLU . 38.3 mttp -109.78 130.63 55.5 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.123 -174.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -133.14 163.81 28.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.705 -173.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -135.59 134.93 39.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.652 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.742 ' HA ' HG12 ' A' ' 52' ' ' VAL . 57.2 t -73.1 126.45 33.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -91.29 -54.76 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.514 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 1.8 ptm180 -157.65 168.02 28.45 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.968 0.414 . . . . 0.0 111.339 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.5 148.61 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.415 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.687 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -75.01 165.84 50.52 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 173.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.687 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 31.1 Cg_endo -62.81 5.99 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.212 2.608 . . . . 0.0 114.105 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 44' ' ' ALA . 87.6 mt -131.97 11.48 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.694 0.283 . . . . 0.0 110.297 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.46 71.45 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.61 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -161.88 128.04 2.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 4.0 Cg_exo -78.48 -179.27 26.4 Favored 'Cis proline' 0 C--O 1.235 0.366 0 C-N-CA 123.663 -1.39 . . . . 0.0 113.416 1.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.29 137.57 55.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.204 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' OE2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -111.18 124.93 53.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.742 HG12 ' HA ' ' A' ' 40' ' ' VAL . 30.4 m -133.73 157.19 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.069 0.461 . . . . 0.0 111.477 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 50.6 t-20 -105.21 100.98 10.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.529 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 53.8 t -111.46 115.02 28.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.941 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 64.03 20.54 12.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.72 -1.04 63.36 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.881 -177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 57' ' ' MET . 32.6 tpp -96.57 127.79 42.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 105.21 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -130.33 140.46 50.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.406 -174.005 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.8 m -94.93 125.91 39.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.545 ' HE2' ' HB3' ' A' ' 66' ' ' ALA . 12.3 ptm -132.52 160.74 35.66 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.231 -177.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.511 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 6.4 mmm180 -87.2 156.91 19.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 0.0 110.388 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.19 -44.76 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.534 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 7.9 p30 -60.39 -28.62 68.37 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 -178.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.511 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 43.0 mt-10 -71.83 -38.79 70.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.545 ' HB3' ' HE2' ' A' ' 61' ' ' MET . . . -73.48 -25.98 60.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.754 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.534 ' HG3' ' HA ' ' A' ' 64' ' ' ASN . 2.5 mm-40 -60.22 -46.52 89.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.825 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.41 -16.71 67.66 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.169 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.644 HG12 HG23 ' A' ' 17' ' ' VAL . 64.9 mt -91.56 133.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.294 0.569 . . . . 0.0 111.323 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.479 ' HB ' ' HB3' ' A' ' 16' ' ' SER . 17.7 m -107.26 125.04 50.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.772 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.75 161.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.083 0.468 . . . . 0.0 111.509 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -125.25 119.92 29.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.215 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.2 mt -63.86 132.66 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.004 0.43 . . . . 0.0 110.689 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.566 HD13 ' HG2' ' A' ' 37' ' ' LYS . 48.0 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.565 0.697 . . . . 0.0 110.666 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.67 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -81.28 156.53 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.251 0.548 . . . . 0.0 112.017 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.58 HD12 HD13 ' A' ' 6' ' ' LEU . 31.3 tp -65.56 -29.74 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.525 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 t -71.91 -20.42 61.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.018 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.67 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 20.9 mm-40 -94.42 6.75 47.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.735 -176.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 73' ' ' ILE . 23.0 mt -82.25 -179.5 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.141 0.496 . . . . 0.0 111.564 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HE2' ' OD2' ' A' ' 10' ' ' ASP . 38.1 mtmt -126.21 169.27 13.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.359 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 109.41 7.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.24 5.38 34.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.686 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.4 ' OD2' ' HE2' ' A' ' 7' ' ' LYS . 1.2 m-20 -87.08 118.81 26.72 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.306 0.574 . . . . 0.0 110.707 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -100.77 119.96 39.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.556 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.769 ' HB2' HD12 ' A' ' 73' ' ' ILE . . . -134.89 172.68 12.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.315 -172.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -123.51 131.59 53.68 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.589 HG22 HD22 ' A' ' 38' ' ' LEU . 59.5 t -70.96 125.39 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.731 0.301 . . . . 0.0 110.845 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -89.95 -52.62 4.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.002 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -153.66 136.7 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.014 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG11 HG12 ' A' ' 69' ' ' ILE . 25.6 t -102.08 108.46 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.561 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.54 106.91 19.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.22 174.42 15.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 -173.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.838 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -62.47 142.85 96.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.318 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.838 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 1.1 Cg_endo -45.53 -49.1 10.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.217 2.611 . . . . 0.0 113.236 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.42 70.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.409 HG12 ' OE1' ' A' ' 65' ' ' GLU . 77.9 t -65.94 -44.29 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.018 0.437 . . . . 0.0 110.212 -177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -61.11 -43.54 98.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.709 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 51.5 tpt85 -59.91 -40.24 88.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.669 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 99.3 mtt180 -69.88 -47.35 62.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.729 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 41.4 mtm -69.35 -28.61 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 25' ' ' ARG . 15.9 t70 -68.09 -35.46 78.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.8 mt -73.44 -42.5 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.306 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.3 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 28' ' ' MET . 4.9 tt -101.61 91.33 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.25 -178.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -66.14 129.37 39.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.266 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 -0.98 79.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.97 126.2 30.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.83 0.347 . . . . 0.0 110.282 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -92.14 124.64 36.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.669 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD22 HG22 ' A' ' 14' ' ' VAL . 2.4 pt? -135.42 149.58 49.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 -176.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.73 124.58 47.65 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.701 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 52' ' ' VAL . 95.0 t -70.57 109.62 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.34 -54.8 20.41 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -171.41 165.87 7.0 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.298 0.57 . . . . 0.0 110.463 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.87 153.17 17.9 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 167.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.577 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . . . -64.3 162.25 34.49 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.577 ' HD2' ' HB3' ' A' ' 44' ' ' ALA . 25.1 Cg_endo -61.11 6.13 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.133 2.555 . . . . 0.0 113.796 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' A' ' 44' ' ' ALA . 95.3 mt -132.45 14.62 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.19 -20.45 16.68 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.387 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -144.21 138.89 15.25 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.29 -170.05 7.59 Favored 'Cis proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.666 -1.389 . . . . 0.0 113.515 0.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.619 HD11 ' HG3' ' A' ' 63' ' ' ARG . 38.8 mt -118.35 140.63 41.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.37 115.05 29.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.075 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.497 HG13 HG21 ' A' ' 40' ' ' VAL . 25.4 m -121.72 136.26 59.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.918 0.389 . . . . 0.0 110.753 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -97.79 101.41 12.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.5 t -107.03 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -173.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 57.0 26.65 12.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.085 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.3 62.81 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.936 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -105.87 121.94 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.17 109.07 15.36 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.57 140.33 39.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.991 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.1 m -127.06 129.45 48.04 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.63 176.8 11.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.789 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.605 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 18.0 mmm180 -79.64 149.31 31.33 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.619 ' HG3' HD11 ' A' ' 50' ' ' ILE . 67.4 ttt180 -62.35 -28.78 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -54.73 -42.66 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.853 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.3 mm-40 -67.29 -38.28 84.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.343 0.592 . . . . 0.0 109.91 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.48 64.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.144 -174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.28 -34.74 79.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.529 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.561 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.63 -34.35 83.47 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.568 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.659 HG12 HG11 ' A' ' 17' ' ' VAL . 50.9 mt -80.58 122.51 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.915 0.388 . . . . 0.0 111.152 -175.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 m -97.45 130.11 44.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.63 HG22 HD11 ' A' ' 6' ' ' LEU . 26.9 m -133.31 155.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -114.96 123.22 48.55 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.769 HD12 ' HB2' ' A' ' 12' ' ' ALA . 10.5 mm -68.93 122.29 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.215 0.531 . . . . 0.0 111.078 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.445 -0.711 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.491 178.468 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.524 ' HE2' HD23 ' A' ' 6' ' ' LEU . 11.8 tpt . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.86 0.362 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.543 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 12.8 mptt -78.0 155.87 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.629 HD12 HD13 ' A' ' 6' ' ' LEU . 37.8 tp -65.99 -31.66 72.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.853 173.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.402 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 3.9 p -77.75 -12.98 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.641 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.543 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 57.3 mm-40 -87.37 -6.5 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.629 HD13 HD12 ' A' ' 3' ' ' LEU . 84.9 mt -76.85 176.81 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.589 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 7.7 ptpp? -126.8 170.94 11.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.825 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 113.69 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.17 -12.1 19.7 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.643 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.589 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 5.0 m-20 -69.02 141.89 54.73 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.14 0.495 . . . . 0.0 111.432 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -117.22 121.29 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.889 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.14 155.86 45.34 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.221 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' HD21 ' A' ' 74' ' ' LEU . 10.2 pt-20 -107.26 138.6 43.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 172.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.37 128.22 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.167 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -96.48 -41.85 8.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.236 0.541 . . . . 0.0 109.994 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 p -157.12 142.85 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.218 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.663 HG21 HG12 ' A' ' 69' ' ' ILE . 2.6 p -118.86 109.87 28.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 178.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.35 100.49 13.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.686 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.18 164.08 36.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.488 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -62.69 144.73 96.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -47.44 -48.19 15.93 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.608 2.872 . . . . 0.0 113.662 -175.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.09 83.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.77 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.19 -44.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 28' ' ' MET . 41.8 ttp180 -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.787 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 5.6 tpt180 -57.73 -45.0 86.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.984 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.491 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 89.0 mtt180 -58.62 -43.73 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.496 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.24 -39.32 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.6 mtp -67.21 -38.62 85.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.16 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.49 -34.19 77.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.099 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.0 mt -68.93 -39.33 79.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 109.985 176.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.71 -9.69 2.1 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.254 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.23 94.0 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.489 -175.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -139.03 178.57 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.39 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -57.63 119.46 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 0.0 110.627 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -10.68 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.157 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB3' ' ND2' ' A' ' 55' ' ' ASN . . . -68.61 127.11 31.85 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.782 0.291 . . . . 0.0 111.123 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.03 133.0 34.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.181 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 38' ' ' LEU . 3.1 pp -137.59 152.31 49.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 0.0 111.472 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.83 129.19 55.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.44 171.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.718 ' HA ' HG12 ' A' ' 52' ' ' VAL . 52.9 t -73.72 116.63 16.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -88.01 -57.53 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.278 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -155.4 159.44 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.331 0.586 . . . . 0.0 110.847 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.79 149.93 39.15 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.072 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . . . -68.54 166.4 26.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HD2' ' HB3' ' A' ' 44' ' ' ALA . 18.8 Cg_endo -58.19 7.14 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.539 2.826 . . . . 0.0 114.19 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 44' ' ' ALA . 23.4 mt -131.11 -1.21 4.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.865 0.364 . . . . 0.0 110.281 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.81 -5.08 80.49 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.98 132.92 8.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.02 -175.24 16.33 Favored 'Cis proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.306 -1.539 . . . . 0.0 113.333 0.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -120.08 140.55 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.245 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -112.17 119.23 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.718 HG12 ' HA ' ' A' ' 40' ' ' VAL . 27.2 m -128.56 159.58 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.027 0.442 . . . . 0.0 111.303 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.479 HD21 HD11 ' A' ' 58' ' ' LEU . 25.9 t-20 -110.71 101.76 10.37 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.47 126.15 55.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 36' ' ' ALA . 27.5 m-80 62.22 21.58 12.56 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.94 0.39 85.69 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.189 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.472 ' HB3' HD21 ' A' ' 59' ' ' LEU . 37.4 ttm -104.09 134.42 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.837 0.351 . . . . 0.0 110.103 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.479 HD11 HD21 ' A' ' 53' ' ' ASN . 2.8 mm? -76.77 106.52 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 57' ' ' MET . 6.8 mt -108.83 139.12 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -177.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.3 m -130.72 119.74 22.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.464 0.649 . . . . 0.0 110.796 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 174.19 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.254 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.496 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -91.05 168.46 11.63 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.112 0.482 . . . . 0.0 110.5 -175.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -65.23 -27.24 68.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.898 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -52.75 -45.65 67.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.758 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.1 mp0 -71.97 -44.09 64.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.217 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 4' ' ' SER . . . -61.12 -37.34 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.416 -174.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.66 -40.93 89.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.238 0.542 . . . . 0.0 110.551 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.84 -31.14 77.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.229 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.663 HG12 HG21 ' A' ' 17' ' ' VAL . 63.7 mt -80.41 121.38 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.099 0.476 . . . . 0.0 111.239 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 m -100.17 129.35 46.18 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.529 HG23 HD11 ' A' ' 6' ' ' LEU . 33.8 m -127.75 166.8 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.07 0.462 . . . . 0.0 111.259 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -130.74 123.69 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.715 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 70.6 mt -67.1 134.19 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.195 0.521 . . . . 0.0 111.593 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 13' ' ' GLU . 81.7 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.861 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.883 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 10.8 mptt -80.37 155.81 27.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.044 0.45 . . . . 0.0 111.073 -177.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.595 HD13 HD11 ' A' ' 6' ' ' LEU . 26.6 tp -65.33 -30.32 71.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.56 172.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 p -77.96 -14.5 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.868 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.883 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 52.6 mt-10 -84.69 -5.16 59.3 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.286 0.565 . . . . 0.0 110.631 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.595 HD11 HD13 ' A' ' 3' ' ' LEU . 84.4 mt -76.72 168.41 20.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.763 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.531 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 28.1 mmtm -108.07 166.18 10.92 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 92.6 0.93 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.179 0.514 . . . . 0.0 110.243 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 -10.43 4.81 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.573 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.531 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 1.5 m-20 -70.78 134.89 47.78 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 111.184 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HG2' HD11 ' A' ' 74' ' ' LEU . 30.3 ttm-85 -106.54 127.25 53.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.205 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.53 173.99 11.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.065 0.459 . . . . 0.0 111.239 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.614 ' HB2' HD22 ' A' ' 74' ' ' LEU . 44.6 tt0 -125.52 135.92 52.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.109 175.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.549 HG22 HD23 ' A' ' 38' ' ' LEU . 88.7 t -72.28 109.75 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.439 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 17.5 p -86.95 -30.44 21.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -161.27 149.51 15.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.636 0.255 . . . . 0.0 111.021 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.673 HG12 HG12 ' A' ' 69' ' ' ILE . 2.7 m -120.17 109.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.39 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.04 94.17 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.189 0.518 . . . . 0.0 111.229 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.15 176.77 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.479 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.57 143.73 36.45 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 123.318 0.386 . . . . 0.0 110.106 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.44 -35.19 74.86 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 123.076 2.517 . . . . 0.0 112.516 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -69.0 -49.86 54.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.81 -43.78 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.336 0.589 . . . . 0.0 109.739 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB3' ' HE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -54.05 -41.86 68.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.314 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -72.17 -45.86 58.73 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 95.5 mtt180 -59.01 -32.32 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.036 -177.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 93.3 mt -68.64 -46.07 70.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.356 -0.383 . . . . 0.0 109.977 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 27.5 mtm -65.8 -39.44 90.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -27.42 69.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.332 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 82.4 mt -76.6 -45.21 31.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.82 -0.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.427 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 4.9 tt -90.83 83.91 5.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -107.3 172.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.684 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 15' ' ' THR . 13.8 ttp85 -70.85 121.55 18.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -4.8 39.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.357 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 55' ' ' ASN . . . -75.28 132.02 40.74 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.763 -0.257 . . . . 0.0 110.622 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -92.69 129.9 38.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.576 ' CB ' ' HA ' ' A' ' 54' ' ' CYS . 2.4 pt? -137.05 164.89 27.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.063 0.458 . . . . 0.0 111.366 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -131.94 133.3 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.496 ' HA ' HG11 ' A' ' 52' ' ' VAL . 92.5 t -73.29 132.81 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.07 -56.05 2.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.734 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -158.02 156.66 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CE2' HG11 ' A' ' 40' ' ' VAL . 76.2 m-85 -116.79 138.7 51.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.119 174.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.635 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . . . -68.44 164.91 39.68 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.635 ' HD2' ' HB3' ' A' ' 44' ' ' ALA . 23.7 Cg_endo -61.08 6.35 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.774 0 C-N-CA 123.381 2.721 . . . . 0.0 114.163 -178.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' H ' ' C ' ' A' ' 44' ' ' ALA . 96.6 mt -132.22 11.71 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.25 19.62 70.53 Favored Glycine 0 C--N 1.332 0.347 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -172.77 128.89 0.56 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 114.72 -0.74 . . . . 0.0 109.099 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.04 -179.84 28.79 Favored 'Cis proline' 0 C--O 1.234 0.311 0 C-N-CA 123.321 -1.533 . . . . 0.0 113.164 -0.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.6 mt -121.08 135.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 -177.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.12 118.56 37.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 40' ' ' VAL . 27.5 m -131.98 149.28 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.059 0.457 . . . . 0.0 111.33 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 57' ' ' MET . 46.3 t-20 -102.95 100.85 10.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.576 ' HA ' ' CB ' ' A' ' 38' ' ' LEU . 51.6 t -101.45 107.04 18.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -174.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 42.1 t30 63.14 31.24 15.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.507 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.76 22.1 21.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.536 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.648 ' HE1' HD22 ' A' ' 59' ' ' LEU . 33.8 ttp -138.22 129.41 27.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.534 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 58' ' ' LEU . 5.7 mp -95.71 110.32 22.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.648 HD22 ' HE1' ' A' ' 57' ' ' MET . 0.7 OUTLIER -134.74 134.32 40.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.239 0.543 . . . . 0.0 110.773 -177.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.1 m -102.18 120.92 41.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.172 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -136.26 179.51 6.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -91.85 159.93 15.55 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.029 0.443 . . . . 0.0 111.254 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -65.45 -35.16 80.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.433 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -58.23 -30.13 66.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.125 0.488 . . . . 0.0 110.527 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.506 ' O ' HG13 ' A' ' 69' ' ' ILE . 29.9 mt-10 -75.61 -42.89 50.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.057 176.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.55 75.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.026 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 42.7 mm-40 -54.83 -43.86 73.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.191 0.52 . . . . 0.0 110.697 173.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.08 -28.5 73.79 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.394 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.673 HG12 HG12 ' A' ' 17' ' ' VAL . 76.9 mt -80.49 120.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.265 0.555 . . . . 0.0 111.065 -177.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.4 m -96.92 128.77 44.21 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.154 175.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 6' ' ' LEU . 35.5 m -127.54 166.23 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.094 0.473 . . . . 0.0 111.153 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -128.09 126.74 41.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.972 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.86 132.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 111.069 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 13' ' ' GLU . 79.1 mt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.705 -178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.632 ' HE1' HG12 ' A' ' 73' ' ' ILE . 54.0 ttp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.718 0.294 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.881 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 14.1 mptt -83.3 159.28 21.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.75 HD13 HD13 ' A' ' 6' ' ' LEU . 46.1 tp -65.64 -29.76 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.489 171.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 18.2 p -75.46 -10.88 59.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.389 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.881 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 41.0 mt-10 -93.84 -9.03 38.69 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.849 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.75 HD13 HD13 ' A' ' 3' ' ' LEU . 81.6 mt -69.27 163.29 25.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.087 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.624 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 5.5 ptpp? -132.93 24.91 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.52 137.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.374 0.607 . . . . 0.0 111.483 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.22 5.8 86.95 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.624 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 70.2 m-20 -102.69 126.67 49.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.058 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -102.61 120.45 40.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.607 ' HB1' HD13 ' A' ' 73' ' ' ILE . . . -138.97 155.86 47.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.96 -175.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -104.4 141.31 36.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.47 109.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.594 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 p -83.69 -36.39 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.631 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -155.88 127.63 7.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.416 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.788 HG23 HG12 ' A' ' 69' ' ' ILE . 2.9 p -108.99 109.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.293 0.568 . . . . 0.0 110.858 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.3 141.41 37.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.156 176.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 24' ' ' ARG . . . -172.6 -176.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.674 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.19 144.53 99.05 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -47.58 -46.1 21.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.404 2.736 . . . . 0.0 112.964 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.99 75.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.309 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.465 HG11 ' HG2' ' A' ' 65' ' ' GLU . 53.8 t -70.92 -43.78 76.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.842 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.587 ' O ' ' HG3' ' A' ' 28' ' ' MET . 5.5 tmm_? -62.21 -37.64 86.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.901 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -66.5 -47.18 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.923 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.539 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 tmt_? -61.61 -40.33 94.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.742 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -65.22 -38.64 91.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.761 177.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.587 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.2 mtm -71.82 -31.37 66.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.519 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.77 -30.11 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 83.8 mt -72.08 -43.27 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.39 5.78 0.48 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.827 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tt -92.35 92.97 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.107 0.48 . . . . 0.0 109.862 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.99 -178.13 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.855 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -67.56 120.57 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.53 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.27 0.46 40.94 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.134 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.69 128.89 36.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.536 0.207 . . . . 0.0 110.797 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 10.8 mptt -95.65 126.01 40.63 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 3.4 pp -130.9 154.92 47.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 0.0 111.738 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -125.9 123.67 39.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.087 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.69 116.47 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 53' ' ' ASN . 68.0 mt -79.75 -56.88 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 -175.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -169.18 164.69 11.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 91.8 m-85 -108.28 156.92 18.83 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.67 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -65.05 167.78 8.93 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 171.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 11.1 Cg_endo -54.0 -7.16 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.158 2.572 . . . . 0.0 113.749 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -132.09 19.61 4.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 0.0 110.177 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.613 ' HA2' ' HB3' ' A' ' 43' ' ' PHE . . . 82.72 -40.72 2.79 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.185 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.28 132.05 21.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.893 0.477 . . . . 0.0 110.16 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.57 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 5.0 Cg_exo -80.19 -178.66 23.62 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 124.112 -1.203 . . . . 0.0 113.288 0.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG12 ' HD1' ' A' ' 43' ' ' PHE . 57.2 mt -117.09 134.47 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.691 -176.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -94.66 117.69 30.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.51 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.7 m -130.93 140.93 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.217 0.532 . . . . 0.0 111.633 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 26.8 t-20 -94.76 100.9 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.557 ' HB3' HD23 ' A' ' 59' ' ' LEU . 50.9 t -109.33 114.57 28.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -174.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 63.52 29.37 15.34 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.658 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.22 14.31 80.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.739 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.1 ttm -118.22 142.5 47.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.9 mt -82.75 111.62 18.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.703 0.287 . . . . 0.0 110.339 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 54' ' ' CYS . 3.9 mm? -113.85 147.12 38.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.266 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.2 m -127.69 119.56 26.09 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.465 ' HE3' HD13 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -135.02 168.03 19.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.566 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.57 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 13.8 mmm-85 -94.5 163.6 13.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.806 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -64.74 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.558 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -61.0 -33.85 73.9 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.575 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.465 ' HG2' HG11 ' A' ' 23' ' ' VAL . 1.3 mp0 -74.99 -35.08 62.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.133 0.492 . . . . 0.0 110.03 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 4' ' ' SER . . . -66.67 -29.69 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.805 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.35 -37.92 88.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.721 0.296 . . . . 0.0 110.586 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.08 -30.33 75.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.427 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.788 HG12 HG23 ' A' ' 17' ' ' VAL . 56.1 mt -81.69 121.17 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.974 0.416 . . . . 0.0 111.267 -175.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.7 m -101.41 132.46 46.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG23 HD11 ' A' ' 6' ' ' LEU . 35.4 m -126.84 159.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.114 0.483 . . . . 0.0 111.794 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -123.77 121.71 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.464 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.632 HG12 ' HE1' ' A' ' 1' ' ' MET . 23.5 mm -64.65 126.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.161 0.505 . . . . 0.0 111.735 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.713 177.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 1.037 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 5.3 mptp? -72.81 152.88 41.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.541 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.622 HD11 HD12 ' A' ' 6' ' ' LEU . 41.2 tp -65.32 -30.28 71.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.505 0.669 . . . . 0.0 109.327 171.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.5 t -76.46 -11.79 59.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.155 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 1.037 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 8.3 mm-40 -82.17 -14.6 55.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.651 0.263 . . . . 0.0 110.635 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.622 HD12 HD11 ' A' ' 3' ' ' LEU . 89.0 mt -70.09 168.38 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 23.6 pttm -133.28 24.84 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -169.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.529 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 69.75 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.649 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.09 -7.62 64.6 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 26.9 m-20 -91.02 137.76 32.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.45 -178.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -113.68 125.1 53.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 173.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.43 156.82 47.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.274 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.759 ' HB2' HD21 ' A' ' 74' ' ' LEU . 35.7 tt0 -100.47 135.52 41.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.2 107.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.47 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.7 p -83.42 -34.78 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.172 0.511 . . . . 0.0 110.08 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -164.53 143.23 7.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.297 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.739 HG22 HG12 ' A' ' 69' ' ' ILE . 2.8 p -120.53 112.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.25 109.56 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.212 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.59 161.44 41.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.153 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.72 146.18 90.91 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -40.85 -52.91 3.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.951 3.101 . . . . 0.0 113.686 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.01 98.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.632 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 86.8 t -71.87 -42.02 69.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.618 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' O ' ' HG3' ' A' ' 28' ' ' MET . 6.2 tmm_? -63.33 -39.51 94.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.49 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -72.6 -38.04 67.94 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.0 ttt-85 -58.5 -43.93 89.23 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.396 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 94.5 mt -64.12 -39.29 93.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.5 mtm -69.54 -34.36 74.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.785 0.326 . . . . 0.0 110.433 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -66.13 -28.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.07 -39.93 48.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.205 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.69 3.23 0.71 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.851 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tt -92.18 97.39 10.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.981 0.42 . . . . 0.0 109.887 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.18 176.8 8.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.433 HH21 ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -69.25 116.23 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.433 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 105.81 -0.96 38.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.082 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.3 143.75 42.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.747 0.308 . . . . 0.0 110.599 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -104.22 120.49 41.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.2 pp -120.43 146.47 46.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.323 0.583 . . . . 0.0 111.406 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -123.03 120.28 32.86 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.708 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 8' ' ' ALA . 94.1 t -71.67 114.57 10.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.747 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -80.18 -49.15 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 44.8 ttt-85 -173.02 161.58 4.43 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.463 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.409 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 98.3 m-85 -115.22 144.54 43.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.574 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.673 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . . . -64.29 166.12 11.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.673 ' HD2' ' HB3' ' A' ' 44' ' ' ALA . 24.5 Cg_endo -61.16 5.17 0.18 Allowed 'Trans proline' 0 N--CA 1.48 0.702 0 C-N-CA 123.107 2.538 . . . . 0.0 113.888 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' ALA . 97.4 mt -133.43 6.28 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.715 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.88 4.82 86.19 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.135 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -149.83 126.2 5.21 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.33 -174.69 14.83 Favored 'Cis proline' 0 C--O 1.237 0.425 0 C-N-CA 123.559 -1.434 . . . . 0.0 113.61 1.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.434 HG22 HG13 ' A' ' 52' ' ' VAL . 68.3 mt -123.62 133.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.472 -177.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -101.12 117.21 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.659 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG22 ' HE3' ' A' ' 61' ' ' MET . 30.1 m -132.27 149.1 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 25.7 t-20 -106.0 106.93 17.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.583 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.8 t -107.14 111.62 24.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.496 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 56.41 27.97 12.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.707 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.46 -2.8 63.11 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.282 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -100.78 130.59 46.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.062 0.431 . . . . 0.0 110.291 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD23 HD21 ' A' ' 53' ' ' ASN . 78.6 mt -83.55 103.19 12.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -105.29 133.04 50.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.185 -175.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.5 m -102.77 119.89 39.63 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.436 ' HE3' HG22 ' A' ' 52' ' ' VAL . 52.3 mtm -130.49 169.15 15.93 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.435 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -95.75 175.07 6.66 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.767 177.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -65.25 -33.79 76.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -53.94 -49.83 67.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.148 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 69' ' ' ILE . 15.2 mp0 -62.85 -47.91 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.511 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.42 73.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.303 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 5.9 mm-40 -65.62 -41.46 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.221 0.534 . . . . 0.0 110.342 175.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.03 -31.08 74.5 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.722 -0.672 . . . . 0.0 113.067 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.739 HG12 HG22 ' A' ' 17' ' ' VAL . 61.7 mt -77.59 129.55 37.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.119 0.485 . . . . 0.0 111.885 -175.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -103.37 120.08 40.12 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.475 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.7 m -122.95 167.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.746 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -133.91 123.39 24.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.463 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.91 128.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.164 0.507 . . . . 0.0 111.415 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' A' ' 13' ' ' GLU . 96.2 mt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.667 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE3' HG12 ' A' ' 73' ' ' ILE . 55.4 ttp . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.928 0.394 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.9 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.1 mptt -81.97 158.78 23.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 -173.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.561 HD11 HD12 ' A' ' 6' ' ' LEU . 43.2 tp -65.81 -28.92 69.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.657 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -74.95 -20.74 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.649 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.9 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 54.4 mt-10 -87.0 -2.71 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.952 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.759 HD22 HD13 ' A' ' 73' ' ' ILE . 29.3 mt -71.58 175.95 5.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.7 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -121.07 161.62 21.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 108.59 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.493 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -3.32 25.83 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.019 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -80.58 137.95 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.792 0.329 . . . . 0.0 111.105 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -100.91 131.73 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.611 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.95 159.37 42.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.185 0.516 . . . . 0.0 111.53 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' HB2' HD21 ' A' ' 74' ' ' LEU . 40.7 tt0 -116.99 128.09 54.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.58 123.69 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.791 0.329 . . . . 0.0 110.961 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 p -103.45 -28.24 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.428 ' HB2' ' HB ' ' A' ' 70' ' ' THR . 60.2 m -154.69 144.29 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.625 0.25 . . . . 0.0 111.044 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.423 HG13 HG12 ' A' ' 69' ' ' ILE . 22.4 t -128.67 128.95 68.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.513 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.514 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -134.27 118.82 17.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.737 0.303 . . . . 0.0 110.565 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.39 177.7 10.97 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -59.6 145.34 83.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -45.39 -52.03 7.15 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.711 2.941 . . . . 0.0 113.971 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.08 59.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 0.0 111.086 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.95 -42.24 46.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -63.8 -38.94 92.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.519 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -56.02 -47.67 77.39 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 174.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -60.89 -43.8 97.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.77 -48.57 78.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.688 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.603 ' SD ' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -69.73 -29.24 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.962 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.9 -41.49 91.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.23 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.3 -63.51 1.05 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.993 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 163.87 30.76 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -105.57 87.64 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.603 HG13 ' SD ' ' A' ' 28' ' ' MET . 35.5 m -132.59 179.55 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -67.45 117.59 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 -3.45 49.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.133 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.19 130.77 39.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -108.56 126.66 53.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.656 -175.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -136.16 165.3 26.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.211 0.529 . . . . 0.0 111.741 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -127.55 129.15 46.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.861 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.775 ' HA ' HG13 ' A' ' 52' ' ' VAL . 60.3 t -69.64 129.61 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.108 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.846 HD11 HD22 ' A' ' 58' ' ' LEU . 86.1 mt -92.77 -59.48 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.146 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -166.69 161.95 16.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.086 0.469 . . . . 0.0 110.254 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.447 ' HD1' HG12 ' A' ' 50' ' ' ILE . 75.6 m-85 -113.79 150.99 32.64 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -71.29 164.22 59.15 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 28.9 Cg_endo -62.13 6.1 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.6 0 C-N-CA 123.348 2.699 . . . . 0.0 114.125 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 44' ' ' ALA . 96.1 mt -132.65 6.28 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.42 6.77 86.81 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.694 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -151.12 124.99 4.38 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.84 -176.51 14.86 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.596 -1.418 . . . . 0.0 112.828 -0.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.447 HG12 ' HD1' ' A' ' 43' ' ' PHE . 61.1 mt -118.99 134.32 62.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.298 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.05 118.83 37.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.775 HG13 ' HA ' ' A' ' 40' ' ' VAL . 19.6 m -136.86 144.07 33.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.754 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -88.94 101.11 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 38.0 t -114.58 121.62 44.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.38 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 64.38 25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.789 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.89 -7.4 67.53 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.006 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.449 ' HB2' HD21 ' A' ' 59' ' ' LEU . 62.1 mtm -113.23 137.84 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.843 0.322 . . . . 0.0 111.023 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.846 HD22 HD11 ' A' ' 41' ' ' LEU . 43.7 mt -75.3 101.95 4.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.449 HD21 ' HB2' ' A' ' 57' ' ' MET . 9.6 mt -100.83 152.14 20.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -176.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.5 m -134.9 120.21 18.99 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.235 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.58 173.4 11.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.147 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.494 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 1.0 OUTLIER -90.71 165.77 13.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.264 0.554 . . . . 0.0 111.167 -175.484 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -65.07 -27.52 68.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.731 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.403 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 25.9 m-20 -54.12 -46.25 72.11 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.304 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.616 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.5 mp0 -68.11 -49.19 62.75 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.468 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.18 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.079 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.104 0.478 . . . . 0.0 110.755 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.93 -20.33 72.49 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.141 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 65' ' ' GLU . 43.5 mt -92.34 124.83 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.259 0.552 . . . . 0.0 111.12 -176.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' A' ' 16' ' ' SER . 56.7 m -99.52 129.31 45.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.204 175.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 6' ' ' LEU . 32.7 m -125.46 163.06 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.991 0.424 . . . . 0.0 111.325 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -126.76 124.5 39.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.547 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.759 HD13 HD22 ' A' ' 6' ' ' LEU . 21.9 mm -64.94 128.75 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -178.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 13' ' ' GLU . 85.7 mt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HG3' ' OE1' ' A' ' 5' ' ' GLU . 37.5 ttp . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.774 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 5.3 mptp? -77.89 152.63 33.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.021 0.438 . . . . 0.0 111.286 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.636 HD11 HD11 ' A' ' 6' ' ' LEU . 34.7 tp -65.31 -30.18 71.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.288 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -77.17 -13.39 59.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.241 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.774 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 61.3 mt-10 -93.47 -0.72 56.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.411 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.636 HD11 HD11 ' A' ' 3' ' ' LEU . 43.3 mt -78.95 179.29 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 111.856 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.9 157.6 44.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.709 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 111.74 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.337 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.12 -6.2 21.68 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.174 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 152.79 27.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.615 0.245 . . . . 0.0 110.508 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -131.31 124.11 29.75 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.59 163.24 33.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.414 . . . . 0.0 111.516 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -111.9 128.22 56.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 49.3 t -68.93 125.74 27.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.052 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.442 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 16.3 p -103.67 -20.93 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.756 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.1 t -165.04 136.04 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 110.898 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.66 HG12 HG12 ' A' ' 69' ' ' ILE . 21.5 t -112.38 108.77 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.569 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.27 131.72 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.853 0.359 . . . . 0.0 110.761 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.84 -178.48 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.29 143.45 79.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -45.73 -48.31 12.43 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.495 2.797 . . . . 0.0 113.34 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.78 62.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.79 0.328 . . . . 0.0 111.412 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.63 -40.16 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.201 0.524 . . . . 0.0 110.432 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 28' ' ' MET . 23.2 ttm180 -57.3 -51.68 68.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.478 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -72.4 -26.08 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.102 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.528 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 18.8 ttt180 -62.28 -40.62 96.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD12 ' HG2' ' A' ' 65' ' ' GLU . 84.1 mt -75.07 -38.88 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 94.7 mtp -65.55 -40.86 93.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.201 0.524 . . . . 0.0 110.403 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -26.22 66.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.639 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.5 mt -71.17 -41.43 70.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.0 1.28 0.71 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.434 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.54 87.94 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.2 m -133.26 -176.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' HG3' ' HA ' ' A' ' 15' ' ' THR . 11.1 ttm180 -64.18 124.66 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.7 -9.03 47.63 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.561 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -70.68 113.55 7.89 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -93.96 117.21 29.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.8 pp -129.05 156.57 43.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.291 0.567 . . . . 0.0 112.13 -173.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -124.38 128.26 48.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.426 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.6 t -72.92 122.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.2 mt -82.49 -65.98 0.94 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.279 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -153.47 163.41 40.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.435 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -107.04 145.28 32.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.332 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -64.53 163.23 28.24 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 24.4 Cg_endo -61.62 6.11 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.19 2.593 . . . . 0.0 114.078 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 44' ' ' ALA . 80.9 mt -132.59 10.88 4.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 0.0 110.062 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.87 13.78 78.67 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.946 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -168.57 129.09 1.06 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.796 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 90.6 Cg_endo -80.5 -168.13 6.56 Favored 'Cis proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.549 -1.438 . . . . 0.0 113.575 0.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.0 mt -124.89 138.84 52.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.534 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.4 118.06 36.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.2 m -126.83 138.63 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.148 0.499 . . . . 0.0 111.24 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 22.0 t-20 -92.93 101.3 13.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.561 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 48.2 t -105.82 113.24 26.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 65.57 21.4 11.72 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.759 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.87 72.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.473 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HE1' HD21 ' A' ' 59' ' ' LEU . 40.0 ttp -118.29 141.25 48.71 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 112.14 19.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.111 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD21 ' HE1' ' A' ' 57' ' ' MET . 3.6 mm? -114.03 145.33 41.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.2 m -135.14 120.46 19.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.636 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -140.96 165.94 26.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -178.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.796 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 11.7 mmm-85 -92.03 165.62 13.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.248 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -63.78 -35.83 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.216 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.03 -28.01 68.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.734 0.302 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.6 mp0 -75.53 -47.87 25.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 171.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.47 ' HB2' ' CE ' ' A' ' 61' ' ' MET . . . -60.2 -29.74 68.92 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.13 -45.33 85.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.11 -34.28 85.9 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.568 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.66 HG12 HG12 ' A' ' 17' ' ' VAL . 53.6 mt -74.33 125.38 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.087 0.47 . . . . 0.0 110.716 -177.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.5 m -113.64 126.32 55.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.19 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.414 HG22 HD12 ' A' ' 6' ' ' LEU . 29.3 m -119.68 157.29 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.124 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -109.48 127.0 54.11 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.404 HD13 HD22 ' A' ' 6' ' ' LEU . 36.3 mm -64.13 124.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.446 0.641 . . . . 0.0 112.537 -174.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.614 175.722 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.814 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 9.5 mptt -91.83 153.4 19.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.712 HD11 HD12 ' A' ' 6' ' ' LEU . 41.9 tp -65.43 -29.84 70.57 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.997 174.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.64 ' HG ' ' HA ' ' A' ' 67' ' ' GLU . 17.5 p -74.19 -15.52 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.405 177.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.814 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 80.0 mt-10 -88.77 -14.75 36.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.926 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.712 HD12 HD11 ' A' ' 3' ' ' LEU . 17.1 mt -62.76 167.0 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.374 0.607 . . . . 0.0 111.818 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -111.31 160.54 16.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.951 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.18 104.38 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.916 0.388 . . . . 0.0 110.418 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.39 -5.75 21.28 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.831 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 146.7 29.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.511 . . . . 0.0 111.569 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -111.81 128.48 56.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.878 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.14 167.0 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 112.383 -175.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.63 ' HB2' HD21 ' A' ' 74' ' ' LEU . 4.5 tp10 -111.56 133.45 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.588 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.695 HG21 HD22 ' A' ' 38' ' ' LEU . 85.3 t -77.32 109.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.111 176.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 p -89.17 -41.31 12.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 110.508 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -154.68 106.26 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.115 0.483 . . . . 0.0 110.655 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.874 HG21 HG12 ' A' ' 69' ' ' ILE . 2.4 p -86.68 109.81 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.252 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.93 140.83 38.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.943 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.67 -176.92 1.33 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.576 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 tp10 -58.88 143.13 83.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.576 ' HD2' ' HG3' ' A' ' 20' ' ' GLU . 4.1 Cg_endo -50.08 -43.42 42.42 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.767 2.311 . . . . 0.0 112.34 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -41.44 85.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.484 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -73.36 -44.46 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.327 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -59.61 -42.67 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.055 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -57.95 -45.5 86.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.474 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.445 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 62.9 ttt180 -65.68 -46.41 79.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.617 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.1 -46.48 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.2 mtp -64.75 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.796 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.89 -30.24 63.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.3 mt -71.79 -44.05 64.63 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.19 -9.69 0.44 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.969 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -79.7 89.53 5.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.375 0.607 . . . . 0.0 109.836 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.87 179.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.901 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -66.11 114.92 5.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.13 37.46 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.252 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.4 114.12 14.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.66 0.266 . . . . 0.0 110.807 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.65 127.23 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 14' ' ' VAL . 2.5 pt? -137.68 156.86 47.56 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.239 0.542 . . . . 0.0 111.278 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -132.38 132.68 43.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.957 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -73.8 116.0 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.911 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.571 HD12 HD21 ' A' ' 58' ' ' LEU . 75.2 mt -78.98 -55.48 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.794 -175.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -168.88 163.22 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.435 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -108.26 151.4 26.01 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -67.62 166.02 25.6 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 173.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.1 Cg_endo -59.66 5.28 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 123.295 2.664 . . . . 0.0 114.382 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 44' ' ' ALA . 96.1 mt -133.03 12.63 4.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 4.92 75.01 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.14 -0.552 . . . . 0.0 111.79 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -160.88 132.24 3.94 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.498 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 85.6 Cg_endo -77.45 -168.21 6.69 Favored 'Cis proline' 0 C--O 1.236 0.383 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.604 1.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.479 HD11 ' HG3' ' A' ' 63' ' ' ARG . 46.9 mt -128.31 139.05 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 -176.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -96.67 123.08 40.25 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.37 140.85 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 111.501 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.509 ' HB2' HD23 ' A' ' 41' ' ' LEU . 45.4 t-20 -95.85 101.58 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.477 ' HB3' HD21 ' A' ' 59' ' ' LEU . 47.5 t -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.411 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 58.9 29.7 19.2 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.939 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.02 63.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.682 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.7 mtm -108.94 138.9 44.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.817 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 41' ' ' LEU . 56.7 mt -95.56 104.47 16.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.924 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -127.8 133.16 49.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.55 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 m -104.48 121.61 43.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.921 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.11 175.96 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.165 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.498 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 3.5 mmm180 -89.88 150.59 22.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.415 -174.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HG3' HD11 ' A' ' 50' ' ' ILE . 57.9 ttt-85 -62.99 -32.49 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.053 -175.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.677 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 4.2 mm-40 -73.58 -40.8 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.701 . . . . 0.0 109.253 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 69' ' ' ILE . . . -66.1 -25.24 66.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.802 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.64 ' HA ' ' HG ' ' A' ' 4' ' ' SER . 47.0 mt-10 -61.97 -43.91 97.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.076 177.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.85 -30.54 76.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.331 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.874 HG12 HG21 ' A' ' 17' ' ' VAL . 51.2 mt -74.46 117.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -98.32 123.34 42.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.865 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.7 m -126.1 164.74 25.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.699 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -131.46 126.84 36.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.7 mt -61.2 129.41 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' ' 13' ' ' GLU . 83.8 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.945 -178.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.887 0.375 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.866 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -84.58 155.08 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -175.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.668 HD11 HD13 ' A' ' 6' ' ' LEU . 36.1 tp -65.7 -31.54 72.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.75 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.443 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 7.1 p -76.34 -14.47 60.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.766 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.866 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 91.6 mt-10 -87.31 -6.67 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.668 HD13 HD11 ' A' ' 3' ' ' LEU . 76.2 mt -72.26 164.69 25.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.73 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -132.62 31.82 3.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.47 136.85 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.59 0.756 . . . . 0.0 112.065 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.06 -7.82 76.21 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.871 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 23.5 m-20 -79.76 134.68 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.177 0.191 . . . . 0.0 110.995 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.14 119.6 39.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . . . -134.54 142.71 47.08 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.455 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.527 ' OE1' ' HE2' ' A' ' 37' ' ' LYS . 35.6 tt0 -91.58 131.79 36.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.273 174.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 86.0 t -79.49 115.28 21.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.127 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 p -97.87 -34.46 10.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.406 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -154.03 146.09 23.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.706 HG11 HG12 ' A' ' 69' ' ' ILE . 41.7 t -125.7 113.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.497 -177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -104.9 118.45 36.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.35 177.39 11.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.365 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.53 141.53 97.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.03 -46.66 15.69 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.385 2.723 . . . . 0.0 113.664 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.69 -39.66 57.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.91 0.386 . . . . 0.0 111.097 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.15 -37.7 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.87 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -57.68 -47.6 81.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.828 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -66.72 -32.34 73.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.513 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 79.1 ttt180 -63.52 -42.88 98.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.104 0.478 . . . . 0.0 109.807 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.16 -45.61 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.169 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.4 mtp -62.38 -44.92 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.838 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.52 -41.12 72.7 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.365 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 93.9 mt -69.01 -37.37 78.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.81 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 0.68 1.0 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.188 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -82.87 90.97 7.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.172 0.511 . . . . 0.0 109.911 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -135.71 -176.56 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.415 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 37.2 ttm180 -68.21 129.51 40.14 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.736 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.31 -14.59 54.72 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.78 132.98 46.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.527 ' HE2' ' OE1' ' A' ' 13' ' ' GLU . 86.3 mttt -123.98 117.52 24.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 -175.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.1 pp -123.14 164.9 17.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.956 -169.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 30.0 ttpt -122.03 128.06 50.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.47 172.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.596 ' HA ' HG12 ' A' ' 52' ' ' VAL . 66.3 t -68.59 118.41 12.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.098 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.84 -61.65 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.632 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -167.12 163.52 15.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.03 0.443 . . . . 0.0 110.397 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -106.59 146.92 30.09 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.669 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.41 165.39 14.47 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.669 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.5 Cg_endo -60.76 5.46 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.097 2.531 . . . . 0.0 114.299 -176.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -134.17 11.4 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.786 0.327 . . . . 0.0 110.692 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.45 -6.81 71.05 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.348 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.92 134.63 9.71 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -80.08 -173.35 12.49 Favored 'Cis proline' 0 C--O 1.237 0.43 0 C-N-CA 123.895 -1.294 . . . . 0.0 113.066 1.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.9 mt -121.49 135.84 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.193 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.779 ' HG2' ' HG1' ' A' ' 60' ' ' THR . 39.5 mt-10 -108.51 124.63 50.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.6 m -134.38 149.53 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.69 101.69 11.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 42.3 t -105.18 109.35 21.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.93 -176.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 61.79 30.61 18.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.551 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -6.68 67.33 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.446 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -99.03 128.69 45.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 0.0 110.488 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.72 109.92 22.13 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -135.03 139.55 44.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 111.453 -176.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.779 ' HG1' ' HG2' ' A' ' 51' ' ' GLU . 29.3 m -110.78 129.13 55.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.148 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.437 ' HE1' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -135.14 176.82 8.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.53 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -84.01 151.88 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -57.67 -29.62 64.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.889 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -54.65 -44.04 72.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.557 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.6 mp0 -72.47 -40.9 66.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.779 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 4' ' ' SER . . . -62.98 -31.51 72.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.45 -177.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 27.1 mm-40 -62.04 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.202 0.525 . . . . 0.0 110.381 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.574 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.52 -34.17 83.52 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.927 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.706 HG12 HG11 ' A' ' 17' ' ' VAL . 57.7 mt -74.09 123.17 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.113 0.483 . . . . 0.0 111.026 -176.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -100.66 122.03 42.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.584 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.443 HG12 HD13 ' A' ' 3' ' ' LEU . 26.8 m -122.01 161.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -176.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -127.2 117.29 22.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.45 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.66 127.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.939 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 110.89 -178.416 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.623 ' HE3' HD23 ' A' ' 6' ' ' LEU . 26.8 ttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.944 0.402 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -91.79 157.61 16.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -171.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.583 HD12 HD11 ' A' ' 6' ' ' LEU . 27.8 tp -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.61 0.719 . . . . 0.0 109.2 169.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 4.7 t -74.71 -12.52 60.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.072 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 51.6 tt0 -99.33 0.34 42.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.936 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.623 HD23 ' HE3' ' A' ' 1' ' ' MET . 71.7 mt -79.45 172.02 14.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 176.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -115.51 159.18 21.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.327 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 102.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 110.286 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.4 -12.31 7.97 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.724 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.92 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.098 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -130.24 127.93 40.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.632 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.68 165.76 30.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.692 0.282 . . . . 0.0 111.283 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -107.84 145.87 33.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.592 HG11 HG23 ' A' ' 17' ' ' VAL . 74.2 t -81.11 119.34 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.949 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.9 p -92.06 -30.98 15.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -154.58 136.67 14.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.766 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.592 HG23 HG11 ' A' ' 14' ' ' VAL . 20.6 t -111.11 108.72 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.506 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.48 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.28 117.73 34.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 110.158 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.91 172.49 13.91 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 4.2 tm-20 -61.18 140.79 94.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 2.1 Cg_endo -49.39 -40.14 44.3 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.886 2.39 . . . . 0.0 113.022 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.42 82.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.046 0.451 . . . . 0.0 110.797 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.634 HG11 ' HG3' ' A' ' 65' ' ' GLU . 84.8 t -69.47 -40.28 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.133 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.35 -47.16 82.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.993 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -58.03 -43.47 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -65.79 -38.45 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.964 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -69.77 -44.07 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.904 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.6 mtp -62.25 -32.99 73.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.836 175.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -89.05 15.88 7.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.875 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.83 12.41 83.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.052 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tt -87.95 87.92 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.329 0.585 . . . . 0.0 109.543 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.33 -173.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.324 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -70.15 118.11 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.018 0.437 . . . . 0.0 110.36 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.95 -4.06 52.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.903 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.59 119.76 16.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.155 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -98.86 122.45 42.11 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.9 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 HD12 ' HB ' ' A' ' 52' ' ' VAL . 2.4 pt? -133.78 155.08 50.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.35 0.595 . . . . 0.0 111.388 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -114.27 127.47 55.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.891 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.66 110.72 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD13 ' HB2' ' A' ' 53' ' ' ASN . 86.0 mt -79.92 -62.02 1.81 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.939 -174.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -154.67 150.04 27.22 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.064 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -101.26 148.39 25.17 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.561 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -63.56 161.28 36.46 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 23.4 Cg_endo -60.95 5.56 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.992 2.461 . . . . 0.0 113.918 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' A' ' 44' ' ' ALA . 64.8 mt -131.69 12.14 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.759 0.314 . . . . 0.0 110.38 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.38 -14.07 52.29 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.405 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.63 138.11 12.46 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -81.01 -169.91 8.05 Favored 'Cis proline' 0 C--O 1.235 0.372 0 C-N-CA 124.016 -1.243 . . . . 0.0 112.896 -0.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.725 HD13 ' HG3' ' A' ' 63' ' ' ARG . 43.3 mt -121.28 138.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.293 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.542 ' HG2' ' HG1' ' A' ' 60' ' ' THR . 37.8 mt-10 -105.75 114.04 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.066 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 38' ' ' LEU . 21.8 m -120.76 144.26 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.167 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.421 ' HB2' HD13 ' A' ' 41' ' ' LEU . 39.7 t30 -101.84 100.86 11.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.524 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.03 119.44 38.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.88 27.98 16.9 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.045 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.29 16.22 59.35 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 mtm -123.46 132.4 53.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.87 102.14 13.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.201 0.524 . . . . 0.0 110.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.33 126.67 54.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.068 -177.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.542 ' HG1' ' HG2' ' A' ' 51' ' ' GLU . 27.4 m -101.41 121.24 41.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.684 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -139.39 169.88 16.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.574 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -75.29 147.01 40.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 110.955 -174.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.725 ' HG3' HD13 ' A' ' 50' ' ' ILE . 64.4 ttt180 -65.28 -30.59 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.715 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -60.01 -40.65 89.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.634 ' HG3' HG11 ' A' ' 23' ' ' VAL . 11.9 mm-40 -75.68 -31.09 59.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.389 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 4' ' ' SER . . . -61.73 -26.71 68.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.297 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -64.34 -44.71 90.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.616 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.11 -26.59 72.47 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.172 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.525 HG12 HG13 ' A' ' 17' ' ' VAL . 50.1 mt -74.84 115.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.187 0.517 . . . . 0.0 110.399 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -94.74 133.4 38.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.596 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 6' ' ' LEU . 27.4 m -129.13 167.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.635 0.731 . . . . 0.0 112.214 -174.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -133.47 120.37 20.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.185 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.97 126.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 111.48 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.572 -179.167 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.476 ' HE2' HD11 ' A' ' 73' ' ' ILE . 15.9 tpt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.664 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -92.87 157.48 16.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.097 0.475 . . . . 0.0 112.172 -176.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.734 HD13 HD11 ' A' ' 6' ' ' LEU . 29.3 tp -66.28 -34.83 78.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.034 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.551 ' OG ' ' HB2' ' A' ' 66' ' ' ALA . 55.4 m -74.89 -13.46 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.639 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.664 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 59.3 mt-10 -88.11 -3.93 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.091 0.472 . . . . 0.0 110.442 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.734 HD11 HD13 ' A' ' 3' ' ' LEU . 76.4 mt -79.1 178.1 8.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.76 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -123.68 159.76 28.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.328 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.31 109.77 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.461 . . . . 0.0 110.147 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.3 -21.67 6.8 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.699 -175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -79.34 142.44 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 111.154 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.564 ' HB3' HD11 ' A' ' 74' ' ' LEU . 80.0 mtm180 -108.6 147.39 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.206 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.454 ' HB2' ' HB ' ' A' ' 71' ' ' VAL . . . -149.27 161.43 42.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.896 0.379 . . . . 0.0 111.565 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' HB2' HD23 ' A' ' 74' ' ' LEU . 39.1 tt0 -113.03 125.31 54.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.95 121.95 20.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.729 0.299 . . . . 0.0 111.015 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 p -98.1 -36.52 10.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -158.84 137.14 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.864 HG21 HG12 ' A' ' 69' ' ' ILE . 6.1 p -117.08 135.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.532 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.559 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -133.85 114.5 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.143 0.496 . . . . 0.0 110.711 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.426 ' HB3' ' OE2' ' A' ' 65' ' ' GLU . . . -154.35 -178.75 7.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.58 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.46 143.87 95.79 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.43 -48.81 18.6 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.894 2.396 . . . . 0.0 112.673 -174.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.53 83.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.52 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.748 HG11 ' HG3' ' A' ' 65' ' ' GLU . 74.3 t -75.42 -39.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.152 0.501 . . . . 0.0 110.174 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.36 -48.29 82.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.11 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.79 -37.32 84.32 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.605 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.575 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 70.9 mtt85 -55.69 -43.34 76.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.354 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.45 -41.46 89.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.0 mtp -65.69 -37.66 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.25 -33.01 63.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 80.5 mt -66.97 -41.02 87.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.99 18.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.892 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -104.02 93.5 4.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.155 0.502 . . . . 0.0 109.951 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.56 -173.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.566 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -71.31 127.94 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.81 -0.77 67.63 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.862 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.03 127.76 33.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 110.386 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' HD12 ' A' ' 74' ' ' LEU . 91.5 mttt -102.03 127.09 49.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.854 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD12 ' HB ' ' A' ' 52' ' ' VAL . 2.1 pt? -138.6 154.46 48.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -176.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -112.97 130.1 56.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.422 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.605 ' HA ' HG13 ' A' ' 52' ' ' VAL . 58.4 t -70.8 116.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 53' ' ' ASN . 85.8 mt -86.51 -65.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.29 -174.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -149.78 156.36 41.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 110.844 -175.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.88 147.75 28.37 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 172.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.598 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -67.6 165.35 30.94 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.598 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 16.7 Cg_endo -58.27 5.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.222 2.615 . . . . 0.0 114.182 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.4 mt -132.8 7.32 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.906 0.384 . . . . 0.0 110.373 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.45 2.85 69.53 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.72 127.69 3.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.76 -171.92 10.47 Favored 'Cis proline' 0 CA--C 1.534 0.493 0 C-N-CA 124.241 -1.149 . . . . 0.0 113.836 2.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -124.19 139.55 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.85 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -106.26 122.46 46.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.605 HG13 ' HA ' ' A' ' 40' ' ' VAL . 19.5 m -128.84 142.03 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.818 0.342 . . . . 0.0 111.068 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.558 ' HB2' HD13 ' A' ' 41' ' ' LEU . 54.3 t-20 -97.11 103.36 15.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -111.04 116.46 31.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.77 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 60.87 25.33 15.26 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.06 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.16 62.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.428 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 mtm -115.64 126.58 54.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.797 0.332 . . . . 0.0 110.215 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 58' ' ' LEU . 6.6 mp -84.06 113.49 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.884 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 30' ' ' LEU . 1.1 mt -112.8 135.38 53.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.558 -175.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.3 m -112.63 126.31 55.23 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.71 ' HE2' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -147.52 167.83 23.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.344 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -77.9 143.7 37.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -173.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 3.9 ttt85 -57.41 -36.75 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.406 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.589 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 2.0 p-10 -58.42 -32.65 68.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.748 ' HG3' HG11 ' A' ' 23' ' ' VAL . 4.3 mm-40 -76.07 -36.29 59.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.274 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.71 ' HB3' ' HE2' ' A' ' 61' ' ' MET . . . -62.99 -31.35 72.46 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 176.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.589 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 47.9 mt-10 -65.34 -35.58 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.089 0.471 . . . . 0.0 110.118 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.559 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.72 -20.28 73.99 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.786 173.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.864 HG12 HG21 ' A' ' 17' ' ' VAL . 70.7 mt -87.37 127.43 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.344 0.592 . . . . 0.0 111.459 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -103.63 124.17 48.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.573 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 30.2 m -127.79 159.3 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 0.0 111.506 -176.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -116.83 119.47 35.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.476 HD11 ' HE2' ' A' ' 1' ' ' MET . 47.5 mt -60.24 136.83 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.594 -174.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 11' ' ' ARG . 86.6 mt . . . . . 0 C--O 1.234 0.281 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.032 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.711 0.291 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.656 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 2.4 mppt? -94.27 159.75 14.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.886 0.374 . . . . 0.0 111.473 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.723 HD12 HD11 ' A' ' 6' ' ' LEU . 54.9 tp -65.43 -30.86 71.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.836 174.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.2 p -76.57 -11.14 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.116 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.656 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -90.2 -10.47 44.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.158 0.504 . . . . 0.0 109.838 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.723 HD11 HD12 ' A' ' 3' ' ' LEU . 74.6 mt -75.77 172.01 13.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.908 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -122.76 169.87 10.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.96 111.82 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.073 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.18 -14.3 33.62 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.373 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.409 ' HA ' HH21 ' A' ' 11' ' ' ARG . 2.3 m-20 -74.57 132.4 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.142 0.496 . . . . 0.0 111.086 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.79 138.19 40.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.586 -178.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.88 162.88 40.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.096 0.474 . . . . 0.0 111.795 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.708 ' HB2' HD22 ' A' ' 74' ' ' LEU . 41.2 tt0 -111.45 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.256 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.683 ' HA ' HG13 ' A' ' 71' ' ' VAL . 66.5 t -76.41 113.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.288 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.499 HG23 ' CE1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -90.07 -26.45 20.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.172 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -165.77 154.03 11.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.682 HG13 HG12 ' A' ' 69' ' ' ILE . 50.0 t -126.86 109.97 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.018 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.489 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.42 102.52 14.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 177.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.48 174.54 14.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.386 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.603 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.0 tm-20 -57.65 141.99 78.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.962 0.788 . . . . 0.0 108.986 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.603 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 3.2 Cg_exo -44.35 -51.12 7.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.302 2.668 . . . . 0.0 113.169 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.476 ' HB1' ' OE1' ' A' ' 20' ' ' GLU . . . -69.9 -44.13 70.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.453 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 79.1 t -63.89 -42.67 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.201 0.524 . . . . 0.0 110.236 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -61.17 -52.13 66.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.889 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -72.1 -25.88 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.4 ttt-85 -64.67 -46.52 82.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 92.3 mt -62.6 -41.65 99.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.629 ' HB3' HG12 ' A' ' 33' ' ' VAL . 47.4 mtm -63.0 -37.96 89.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.23 -33.45 76.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.757 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.86 -33.65 68.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.439 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.18 -3.31 1.45 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.812 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' A' ' 28' ' ' MET . 3.2 tt -94.56 83.84 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 0.0 109.967 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.629 HG12 ' HB3' ' A' ' 28' ' ' MET . 33.2 m -109.65 178.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.263 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -72.44 115.19 11.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 0.58 37.12 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.886 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.86 146.0 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.3 . . . . 0.0 110.726 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -114.83 127.7 55.87 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -142.54 169.71 17.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.662 0.744 . . . . 0.0 112.799 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HG3' ' HG3' ' A' ' 11' ' ' ARG . 35.9 ttpt -130.84 132.42 45.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.236 172.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.703 ' HA ' HG11 ' A' ' 52' ' ' VAL . 60.1 t -69.61 119.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.5 mt -81.16 -64.43 1.19 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.531 -177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -151.33 152.31 32.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.457 0.646 . . . . 0.0 111.117 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -107.21 131.13 54.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 168.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -57.33 159.08 9.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 123.169 0.293 . . . . 0.0 110.23 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 25.0 Cg_endo -60.94 6.55 0.12 Allowed 'Trans proline' 0 N--CA 1.479 0.627 0 C-N-CA 123.374 2.716 . . . . 0.0 113.83 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 44' ' ' ALA . 80.0 mt -132.28 13.65 4.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.909 0.385 . . . . 0.0 110.102 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.61 14.29 72.25 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.463 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -174.63 132.83 0.5 Allowed Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.86 -175.43 16.38 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.567 -1.43 . . . . 0.0 113.144 1.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.7 mt -120.69 135.12 61.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -111.12 124.78 52.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.43 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.703 HG11 ' HA ' ' A' ' 40' ' ' VAL . 28.7 m -132.2 146.51 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.745 0.307 . . . . 0.0 111.039 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -97.87 104.33 16.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 49.1 t -108.82 110.49 21.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.944 -175.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.89 28.94 16.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.81 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.91 -4.56 65.72 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.926 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -106.41 123.29 47.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.833 0.349 . . . . 0.0 110.065 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.21 107.87 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mt -105.74 150.91 25.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.65 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.7 m -133.87 120.41 20.39 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.626 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.51 178.85 6.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.933 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -89.18 158.92 17.72 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.087 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -52.88 -40.67 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.531 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 3.5 p-10 -64.33 -30.61 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 -177.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' HG13 ' A' ' 69' ' ' ILE . 65.0 mm-40 -71.28 -39.49 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.413 . . . . 0.0 109.996 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.17 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.929 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 49.7 mt-10 -65.56 -38.12 88.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 174.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.6 -36.28 87.73 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.556 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 17' ' ' VAL . 52.8 mt -74.71 120.37 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.164 0.507 . . . . 0.0 111.215 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -100.93 128.9 46.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.455 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.683 HG13 ' HA ' ' A' ' 14' ' ' VAL . 33.2 m -136.17 160.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 0.0 111.229 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.499 ' CE1' HG23 ' A' ' 15' ' ' THR . 22.9 p-80 -120.51 130.93 54.47 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 171.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.64 133.2 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 111.696 -174.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.708 HD22 ' HB2' ' A' ' 13' ' ' GLU . 93.6 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.573 ' HE2' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.737 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 4.4 mptp? -76.41 151.03 36.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.052 0.454 . . . . 0.0 111.597 -173.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD22 ' HE1' ' A' ' 61' ' ' MET . 16.9 tp -65.67 -30.16 70.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.417 173.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.1 t -69.3 -22.69 63.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.979 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.737 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 53.4 mt-10 -89.77 -2.91 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.383 . . . . 0.0 111.169 -177.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.588 HD12 HG23 ' A' ' 71' ' ' VAL . 34.0 mt -76.33 165.83 24.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 34.8 mtmt -119.05 161.12 20.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.802 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.34 118.02 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 0.0 110.64 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.11 -12.21 52.19 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.431 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.509 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 1.1 m-20 -79.97 141.6 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HG2' HD13 ' A' ' 74' ' ' LEU . 51.9 ttt180 -124.55 131.09 53.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.32 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB1' HD12 ' A' ' 73' ' ' ILE . . . -141.87 176.48 8.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.554 ' HB2' HD22 ' A' ' 74' ' ' LEU . 34.0 tt0 -121.37 133.66 55.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.765 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG21 HD23 ' A' ' 38' ' ' LEU . 58.0 t -72.27 112.14 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -89.73 -37.64 14.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 m -154.65 116.87 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.17 0.51 . . . . 0.0 110.773 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.859 HG23 HG12 ' A' ' 69' ' ' ILE . 2.4 p -97.22 109.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.28 0.562 . . . . 0.0 110.28 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.63 172.3 17.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.466 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 149.03 98.7 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.434 0.459 . . . . 0.0 109.948 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -46.5 -43.29 22.55 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.825 3.016 . . . . 0.0 113.853 -172.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.43 -49.08 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.146 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.79 -39.49 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 110.597 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 28' ' ' MET . 24.0 ttm180 -57.5 -51.89 67.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.785 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.719 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 99.4 mtt180 -69.77 -35.54 75.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.153 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -41.67 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 89.6 mtp -57.95 -42.44 84.97 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.67 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.09 -31.73 70.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.835 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.84 6.22 25.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.809 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.87 -2.92 55.69 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.067 175.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tt -88.32 85.82 6.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.436 0.636 . . . . 0.0 109.449 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.1 -177.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.119 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -72.08 120.36 17.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.98 0.39 56.17 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.887 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -76.47 126.34 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.774 0.321 . . . . 0.0 111.206 178.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -93.12 128.32 39.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.856 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 HD23 HG21 ' A' ' 14' ' ' VAL . 2.3 pt? -139.3 147.63 41.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.437 . . . . 0.0 111.044 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -115.6 132.01 56.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.406 174.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.704 ' HA ' HG13 ' A' ' 52' ' ' VAL . 62.1 t -70.73 119.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.6 mt -89.52 -64.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.291 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -151.71 160.46 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.145 -173.106 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -117.16 154.49 30.99 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -75.57 163.17 69.13 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 172.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.32 5.66 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.99 2.46 . . . . 0.0 113.517 -176.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 44' ' ' ALA . 87.0 mt -132.8 14.07 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.781 0.324 . . . . 0.0 110.591 -177.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.11 2.09 81.86 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.626 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -161.62 135.8 5.09 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.51 179.21 29.64 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.548 -1.438 . . . . 0.0 113.312 1.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 54.9 mt -115.3 139.03 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.48 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.4 126.77 55.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.781 0.324 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.704 HG13 ' HA ' ' A' ' 40' ' ' VAL . 29.7 m -132.44 156.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -177.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -106.22 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.487 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 51.0 t -113.67 123.89 50.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.41 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 62.65 20.34 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.112 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.75 16.01 60.57 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.716 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.446 ' O ' HD23 ' A' ' 59' ' ' LEU . 33.0 ttm -117.1 129.46 56.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.42 102.43 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.082 0.468 . . . . 0.0 109.962 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -119.82 149.5 41.96 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.038 -174.498 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.4 m -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.25 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.642 ' HE1' HD11 ' A' ' 69' ' ' ILE . 9.5 ptm -138.78 171.47 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -177.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.444 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 9.3 mmt180 -95.49 149.84 20.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -172.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 23.0 ttt180 -61.83 -41.9 98.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.436 177.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -60.44 -31.46 70.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.389 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.527 ' O ' HG13 ' A' ' 69' ' ' ILE . 56.0 mm-40 -75.34 -38.39 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 109.693 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.86 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.526 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 23.3 mm-40 -62.5 -47.32 84.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 109.635 173.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.49 -31.26 78.24 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.541 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.859 HG12 HG23 ' A' ' 17' ' ' VAL . 63.4 mt -75.91 119.68 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.297 0.57 . . . . 0.0 111.224 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -103.97 125.58 50.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.713 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.588 HG23 HD12 ' A' ' 6' ' ' LEU . 29.9 m -116.81 157.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.266 -175.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -118.49 123.94 46.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.868 175.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.536 HD12 ' HB1' ' A' ' 12' ' ' ALA . 27.0 mm -64.12 130.9 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.118 0.485 . . . . 0.0 112.12 -173.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 13' ' ' GLU . 94.9 mt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.08 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.904 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.3 mptt -76.15 152.91 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.976 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 6' ' ' LEU . 37.6 tp -65.39 -29.62 70.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.398 173.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.515 ' HG ' ' HA ' ' A' ' 67' ' ' GLU . 15.1 p -78.31 -8.1 58.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.629 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.904 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 43.8 mt-10 -92.31 -8.75 44.24 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.567 HD13 HD11 ' A' ' 3' ' ' LEU . 75.8 mt -69.06 163.75 24.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.26 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.467 ' HG3' ' OD2' ' A' ' 10' ' ' ASP . 2.5 pptp? -130.55 32.96 4.34 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -170.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.489 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 68.67 135.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.467 0.651 . . . . 0.0 112.129 175.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 7.22 84.38 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.467 ' OD2' ' HG3' ' A' ' 7' ' ' LYS . 66.1 m-20 -102.23 132.58 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.073 -0.563 . . . . 0.0 110.355 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 11' ' ' ARG . 65.3 mtt-85 -107.6 121.42 44.62 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.06 166.24 23.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.885 -174.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.12 132.38 56.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.644 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.581 ' HA ' HG11 ' A' ' 71' ' ' VAL . 91.6 t -74.68 116.46 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -35.22 14.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 p -160.94 142.15 11.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.769 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.62 HG12 HG12 ' A' ' 69' ' ' ILE . 45.6 t -114.16 109.48 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.415 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.49 103.6 15.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.015 0.436 . . . . 0.0 110.35 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.86 179.7 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.256 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.57 144.38 89.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.63 -45.13 43.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.867 2.378 . . . . 0.0 112.477 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.77 92.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.52 -43.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 24' ' ' ARG . 37.1 ttm180 -56.5 -50.01 73.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.423 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -66.61 -35.83 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.476 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -59.74 -42.64 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.484 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 94.0 mt -66.65 -38.63 87.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.297 177.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.451 ' HG2' HG11 ' A' ' 33' ' ' VAL . 89.2 mtp -63.99 -40.01 95.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -33.29 75.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.317 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.94 -42.52 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.869 0.366 . . . . 0.0 110.495 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 5.33 0.62 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.3 tt -97.75 96.0 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.451 HG11 ' HG2' ' A' ' 28' ' ' MET . 35.7 m -128.97 172.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.236 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -67.98 118.1 10.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.16 -3.75 48.02 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.753 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.5 135.32 39.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.275 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -105.72 126.25 51.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD21 ' H ' ' A' ' 38' ' ' LEU . 2.3 pt? -133.65 157.99 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.146 0.498 . . . . 0.0 111.889 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -116.75 119.74 36.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.098 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HA ' HG12 ' A' ' 52' ' ' VAL . 77.9 t -70.62 117.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -90.84 -61.53 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -148.34 159.68 43.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.85 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -118.86 140.14 50.46 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 171.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -65.58 158.26 74.74 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 18.0 Cg_endo -59.95 6.69 0.1 OUTLIER 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 123.635 2.89 . . . . 0.0 113.946 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 44' ' ' ALA . 91.1 mt -131.75 13.16 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.87 8.99 78.94 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.213 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.91 133.3 1.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.58 -175.48 16.56 Favored 'Cis proline' 0 C--O 1.237 0.441 0 C-N-CA 123.436 -1.485 . . . . 0.0 113.13 0.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.84 134.43 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.31 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -98.48 114.47 26.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.858 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.7 m -130.13 136.73 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 0.0 111.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -88.85 101.41 14.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.3 t -108.98 112.32 24.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.645 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 62.59 29.66 16.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.885 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.35 -19.63 53.96 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 113.252 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.36 132.73 42.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.001 0.4 . . . . 0.0 111.201 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.25 105.46 6.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mt -106.46 131.62 53.43 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -108.99 119.81 40.68 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.455 ' HE3' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -135.44 169.44 17.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.116 179.147 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 62' ' ' ARG . 4.9 mmm180 -88.66 156.81 18.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.62 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 48.2 ttt-85 -54.59 -37.22 65.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.181 177.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.523 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 1.8 m-20 -54.49 -43.68 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.422 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.581 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.5 mt-10 -73.25 -39.24 65.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.268 -176.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 4' ' ' SER . . . -66.2 -26.17 67.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.357 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.523 ' OE2' ' HA ' ' A' ' 64' ' ' ASN . 41.6 mt-10 -62.77 -45.66 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.461 . . . . 0.0 110.491 173.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.52 -35.57 90.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.01 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.62 HG12 HG12 ' A' ' 17' ' ' VAL . 38.5 mt -74.59 123.56 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 111.21 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -103.77 128.28 51.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.448 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' ' 14' ' ' VAL . 28.9 m -133.04 166.12 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -129.03 134.17 48.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.23 129.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.016 179.848 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.827 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 1.2 mptm? -86.25 153.21 22.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.859 0.361 . . . . 0.0 110.372 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.611 HD23 HD11 ' A' ' 69' ' ' ILE . 17.4 tp -65.53 -31.85 73.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.98 173.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.413 ' HB3' ' HB1' ' A' ' 66' ' ' ALA . 4.3 p -80.67 -0.96 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.909 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.827 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -89.46 -24.52 21.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.132 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.459 HD23 HG12 ' A' ' 73' ' ' ILE . 93.2 mt -62.4 148.7 44.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.601 178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.594 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 18.6 ptpt -121.9 44.03 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -170.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.14 124.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.709 0.766 . . . . 0.0 112.735 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.43 -14.37 65.13 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.434 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -79.71 148.14 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -115.31 128.42 56.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HB2' HD11 ' A' ' 6' ' ' LEU . . . -135.17 164.71 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.007 0.432 . . . . 0.0 111.077 -177.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -121.0 127.99 52.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.988 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.4 t -71.14 125.79 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.853 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -100.75 -34.02 10.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.094 0.473 . . . . 0.0 110.565 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -158.91 147.97 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.766 HG22 HG12 ' A' ' 69' ' ' ILE . 3.3 p -126.96 111.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.373 0.606 . . . . 0.0 110.562 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.24 112.91 26.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.038 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.26 171.66 16.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.725 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -62.3 148.37 89.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.5 -52.08 6.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 123.609 2.873 . . . . 0.0 113.425 -176.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.84 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.208 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.77 -45.26 77.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.288 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -61.74 -43.22 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.081 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -58.58 -44.51 89.83 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.659 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.472 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.3 mtt180 -58.36 -47.96 82.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.704 0.288 . . . . 0.0 110.826 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 HD12 ' A' ' 69' ' ' ILE . 85.1 mt -61.04 -46.82 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.157 0.503 . . . . 0.0 110.708 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 89.8 mtp -67.87 -35.8 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.176 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.34 -32.09 69.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.568 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.3 mt -70.42 -40.02 74.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 176.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.426 ' HA3' ' HE3' ' A' ' 57' ' ' MET . . . 144.54 19.32 0.18 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.995 177.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -105.25 98.91 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.015 0.436 . . . . 0.0 110.065 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.33 -179.63 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.004 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -67.97 127.52 33.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.85 -4.84 68.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.862 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.52 127.68 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -94.82 129.29 41.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 38' ' ' LEU . 2.2 pt? -136.07 145.62 46.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.103 0.478 . . . . 0.0 111.31 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -110.38 124.97 52.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.729 175.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 ' HA ' HG11 ' A' ' 52' ' ' VAL . 59.1 t -71.93 126.86 33.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.74 -63.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.432 ' HG2' ' H ' ' A' ' 43' ' ' PHE . 24.6 ttp180 -170.46 167.65 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.971 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.594 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 82.6 m-85 -94.25 164.15 13.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.991 172.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -78.02 166.41 43.62 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 165.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.33 1.72 0.24 Allowed 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.116 2.544 . . . . 0.0 114.415 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 44' ' ' ALA . 80.2 mt -132.6 7.5 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.92 -176.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.71 -3.12 84.35 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.915 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.71 132.95 8.76 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.14 -171.2 9.54 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.782 -1.341 . . . . 0.0 112.782 -1.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.3 mt -124.03 136.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.867 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -104.04 129.08 51.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.624 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG11 ' HA ' ' A' ' 40' ' ' VAL . 28.4 m -137.76 153.82 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.446 . . . . 0.0 111.427 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -109.38 100.97 9.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.66 115.03 29.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.209 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 59.35 27.46 16.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.472 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.45 -5.88 62.87 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.442 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.426 ' HE3' ' HA3' ' A' ' 31' ' ' GLY . 4.2 mpp? -101.22 126.89 47.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.114 0.457 . . . . 0.0 110.073 175.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.5 110.43 22.5 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -132.46 135.69 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -175.161 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.6 m -91.18 123.1 34.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.464 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.506 ' HE3' ' HB2' ' A' ' 66' ' ' ALA . 10.3 ptm -126.42 164.03 22.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.104 0.478 . . . . 0.0 111.148 -174.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 8.5 mmm180 -86.38 150.04 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.485 -173.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -58.97 -39.23 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.336 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -61.15 -30.49 70.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.841 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 69' ' ' ILE . 45.5 mt-10 -74.86 -43.78 52.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.04 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.506 ' HB2' ' HE3' ' A' ' 61' ' ' MET . . . -68.04 -31.09 70.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.982 -177.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -60.13 -44.3 95.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.193 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.83 -20.25 72.22 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.078 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.766 HG12 HG22 ' A' ' 17' ' ' VAL . 62.6 mt -87.59 125.07 41.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.207 0.527 . . . . 0.0 111.104 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -102.49 123.12 45.68 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.88 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.5 m -127.7 167.96 21.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.556 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 171.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.459 HG12 HD23 ' A' ' 6' ' ' LEU . 56.8 mt -66.73 130.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 0.0 111.333 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 121.432 0.634 . . . . 0.0 109.794 177.744 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 ptm . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.534 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 13.7 mptt -85.9 151.05 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.702 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.556 HD21 HD13 ' A' ' 69' ' ' ILE . 29.7 tp -65.06 -31.49 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -76.4 -15.34 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.237 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 17.8 mm-40 -95.21 1.83 54.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.121 -176.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.618 HD12 HG22 ' A' ' 71' ' ' VAL . 25.0 mt -77.22 -177.11 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.6 . . . . 0.0 111.668 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 73.6 mmtt -120.11 149.76 41.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.637 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 105.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.39 6.86 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.84 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.42 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 179.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 11' ' ' ARG . 16.7 ttm180 -113.22 128.62 56.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.54 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.28 174.03 11.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -124.78 133.31 53.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.33 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG21 HD23 ' A' ' 38' ' ' LEU . 89.6 t -69.84 122.7 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 p -96.6 -41.44 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 148.68 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.285 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.661 HG11 HG12 ' A' ' 69' ' ' ILE . 52.6 t -124.15 117.95 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.45 101.14 10.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.478 176.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.76 -176.94 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.473 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -65.3 144.1 98.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.68 -42.19 70.72 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.811 2.341 . . . . 0.0 112.344 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.55 83.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.151 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.85 -35.67 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.523 -175.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 28' ' ' MET . 43.8 ttp180 -63.22 -49.16 75.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.932 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 25' ' ' ARG . 32.1 mtm105 -64.38 -31.9 73.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.151 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -43.24 89.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.83 -39.34 56.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.443 ' HG2' HG12 ' A' ' 33' ' ' VAL . 88.1 mtp -61.96 -37.78 86.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -34.86 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.751 175.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.716 HD12 HD21 ' A' ' 59' ' ' LEU . 97.1 mt -71.98 -41.16 68.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.032 177.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.33 -0.66 1.12 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.655 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -82.26 92.78 6.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.14 0.495 . . . . 0.0 110.128 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.45 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 28.8 m -133.47 -175.98 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.092 178.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -68.9 116.59 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 175.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.05 -1.05 38.24 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.843 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.26 123.69 25.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.52 0.2 . . . . 0.0 110.606 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.505 ' HG2' HD12 ' A' ' 74' ' ' LEU . 57.2 mttp -91.02 126.53 36.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.807 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.531 HD23 HG21 ' A' ' 14' ' ' VAL . 2.4 pt? -140.99 149.38 41.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.999 0.428 . . . . 0.0 110.735 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -118.23 135.56 54.19 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.558 ' HA ' HG13 ' A' ' 52' ' ' VAL . 70.6 t -70.2 118.35 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 53' ' ' ASN . 87.5 mt -90.58 -56.68 3.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.18 143.12 27.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.983 -173.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.75 133.61 53.19 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 165.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.561 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -62.99 161.74 27.98 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 22.2 Cg_endo -61.24 5.88 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.715 0 C-N-CA 123.153 2.569 . . . . 0.0 114.168 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 44' ' ' ALA . 94.7 mt -132.5 10.06 4.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.181 0.515 . . . . 0.0 109.812 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.98 20.69 79.04 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -170.1 127.67 0.78 Allowed Pre-proline 0 C--N 1.326 -0.415 0 C-N-CA 122.904 0.481 . . . . 0.0 109.71 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.66 -175.93 17.67 Favored 'Cis proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.984 1.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -122.26 137.11 56.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.429 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.2 121.05 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.123 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 40' ' ' VAL . 31.4 m -133.33 150.05 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.015 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.523 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 49.7 t-20 -101.82 105.36 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -107.92 108.53 19.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.068 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.47 28.48 13.78 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.078 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.56 -4.2 63.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.546 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.41 ' HE1' ' O ' ' A' ' 30' ' ' LEU . 4.4 mpp? -104.53 117.72 34.83 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -82.91 105.33 13.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.716 HD21 HD12 ' A' ' 30' ' ' LEU . 9.8 mt -101.3 144.41 30.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.016 -172.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m -128.61 120.55 26.84 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.019 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 -179.5 6.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -91.45 161.45 14.98 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.552 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 39.7 ttt85 -58.92 -36.98 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.28 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.37 -32.49 70.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.08 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 mp0 -69.67 -46.49 65.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.043 0.449 . . . . 0.0 109.986 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.56 78.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.282 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 44.0 mt-10 -63.38 -36.33 83.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.161 0.505 . . . . 0.0 110.366 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.05 -25.18 73.34 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.669 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.661 HG12 HG11 ' A' ' 17' ' ' VAL . 61.4 mt -86.3 132.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.593 . . . . 0.0 111.722 -173.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 m -105.28 130.65 53.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.537 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.618 HG22 HD12 ' A' ' 6' ' ' LEU . 33.3 m -129.35 158.69 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -121.89 121.67 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.983 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.99 134.16 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.324 0.583 . . . . 0.0 111.817 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD12 ' HG2' ' A' ' 37' ' ' LYS . 48.9 mt . . . . . 0 CA--C 1.516 -0.355 0 CA-C-O 121.81 0.814 . . . . 0.0 110.549 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttp . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -86.77 153.8 21.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.611 HD22 HD11 ' A' ' 69' ' ' ILE . 18.4 tp -65.74 -33.52 76.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.68 172.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -75.33 -8.43 56.65 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.601 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -97.07 1.66 50.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.562 HD11 HG22 ' A' ' 71' ' ' VAL . 50.3 mt -79.6 178.34 8.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.223 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.8 156.07 48.67 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 116.99 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.241 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.56 -32.08 4.4 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.25 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.71 151.68 37.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.322 0.582 . . . . 0.0 112.496 -172.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -114.54 141.61 47.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.866 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.78 165.84 27.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.23 0.538 . . . . 0.0 111.556 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.708 ' HB2' HD22 ' A' ' 74' ' ' LEU . 34.4 tt0 -113.67 131.9 55.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.158 176.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.47 119.05 21.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.867 0.365 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -95.78 -34.0 12.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 p -162.44 147.38 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.753 HG13 HG12 ' A' ' 69' ' ' ILE . 60.1 t -120.58 119.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.413 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.06 104.72 14.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.965 0.412 . . . . 0.0 110.066 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.04 172.28 17.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.559 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 11.6 tm-20 -58.28 141.87 82.0 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.455 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 6.6 Cg_endo -51.27 -43.02 51.54 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.087 2.525 . . . . 0.0 113.443 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.3 -44.59 68.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.752 0.31 . . . . 0.0 110.655 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 74.0 t -66.94 -40.34 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.18 0.514 . . . . 0.0 109.997 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.89 -39.95 91.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.945 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.25 -41.22 99.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.401 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 76.0 mtp180 -70.9 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.7 mt -60.72 -46.04 91.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 109.895 176.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 42.7 mtm -70.49 -27.45 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.751 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.21 -47.9 69.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.981 175.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.92 14.99 0.21 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.129 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.81 89.26 4.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.3 m -125.68 -176.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.218 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -67.81 114.7 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.96 -1.8 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.387 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.96 136.35 41.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.866 0.365 . . . . 0.0 110.425 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.61 128.65 54.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.9 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.84 160.47 38.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.143 0.496 . . . . 0.0 111.684 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -122.11 124.2 43.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.483 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.671 ' HA ' HG11 ' A' ' 52' ' ' VAL . 57.7 t -71.53 117.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.715 HD11 HD22 ' A' ' 58' ' ' LEU . 68.1 mt -83.33 -62.65 1.53 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.929 0.395 . . . . 0.0 110.373 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -161.82 152.43 17.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.009 -175.467 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -105.08 155.43 19.0 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.428 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . . . -73.32 165.38 53.4 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 44' ' ' ALA . 72.8 Cg_exo -49.31 -33.34 28.45 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.72 2.28 . . . . 0.0 113.02 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.18 1.0 54.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.279 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.4 0.06 86.78 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.838 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -151.43 132.18 7.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -78.6 -170.81 9.1 Favored 'Cis proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.565 -1.431 . . . . 0.0 113.493 1.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.4 mt -126.55 139.65 51.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.331 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -108.44 121.36 44.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.681 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.671 HG11 ' HA ' ' A' ' 40' ' ' VAL . 23.4 m -135.79 146.6 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.128 0.489 . . . . 0.0 111.246 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.76 100.22 12.75 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 42.9 t -110.85 118.67 36.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.952 0.406 . . . . 0.0 111.063 -173.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.56 27.88 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.39 -3.5 63.75 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.5 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 71.7 mtm -121.01 138.64 54.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.115 0.458 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.715 HD22 HD11 ' A' ' 41' ' ' LEU . 68.6 mt -75.91 107.39 8.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.854 178.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 54' ' ' CYS . 8.0 mt -111.12 137.52 48.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.904 0.383 . . . . 0.0 110.393 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.76 130.76 45.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.885 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.583 ' HE3' HD22 ' A' ' 3' ' ' LEU . 21.1 ptm -143.22 166.86 23.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.102 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -96.21 163.14 13.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.536 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 29.4 ttt180 -61.72 -34.28 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.025 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.84 -49.9 61.95 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.8 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.621 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.2 mp0 -64.25 -43.39 95.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB2' ' HE2' ' A' ' 61' ' ' MET . . . -63.83 -28.46 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.931 -175.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 36.7 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 109.909 174.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.582 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.49 -36.9 84.77 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.726 -0.67 . . . . 0.0 113.127 175.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.753 HG12 HG13 ' A' ' 17' ' ' VAL . 61.5 mt -74.41 132.5 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.395 0.617 . . . . 0.0 111.443 -174.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -109.73 128.29 55.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.821 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.562 HG22 HD11 ' A' ' 6' ' ' LEU . 29.3 m -132.63 160.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.196 0.522 . . . . 0.0 111.393 -175.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -123.46 129.62 51.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.21 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.51 129.17 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.985 0.422 . . . . 0.0 111.211 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.708 HD22 ' HB2' ' A' ' 13' ' ' GLU . 95.0 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.138 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.827 ' HE2' HD11 ' A' ' 73' ' ' ILE . 12.8 tpt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.507 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.9 mptt -84.78 145.63 27.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.681 HD11 HD11 ' A' ' 6' ' ' LEU . 35.0 tp -65.47 -32.42 74.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.336 0.589 . . . . 0.0 109.765 175.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.44 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 28.9 t -74.55 -14.77 60.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.78 176.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.507 ' CG ' ' HB2' ' A' ' 2' ' ' LYS . 24.2 mm-40 -88.29 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.681 HD11 HD11 ' A' ' 3' ' ' LEU . 55.4 mt -76.56 174.22 10.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 177.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.91 159.79 39.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.757 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.32 -27.03 5.91 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.591 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.72 149.97 41.5 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.261 0.553 . . . . 0.0 111.523 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -122.48 136.9 55.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.37 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.27 163.03 33.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.583 0.23 . . . . 0.0 111.058 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -110.32 126.6 54.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.603 ' HA ' HG13 ' A' ' 71' ' ' VAL . 60.8 t -71.0 120.32 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.696 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.5 p -99.76 -27.54 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -162.95 152.2 15.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.321 . . . . 0.0 110.731 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.716 HG11 HG12 ' A' ' 69' ' ' ILE . 52.8 t -126.77 132.64 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -132.02 106.85 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.415 0.626 . . . . 0.0 110.786 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -161.16 175.03 12.8 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 143.96 72.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.51 -42.08 68.48 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.124 2.55 . . . . 0.0 112.84 -173.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.46 86.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.082 0.468 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.9 -46.03 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.125 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -63.22 -34.39 77.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.508 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.0 -42.11 98.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.21 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 67.5 mtt180 -65.54 -38.48 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.886 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.24 -48.23 74.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.7 mtp -64.07 -37.3 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.74 -45.75 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.529 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 97.6 mt -64.6 -39.94 94.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.531 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.54 0.82 0.94 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.54 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.16 96.51 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.251 0.548 . . . . 0.0 110.016 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.91 176.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.375 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -62.38 123.53 18.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.746 0.307 . . . . 0.0 110.239 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.29 -13.01 48.25 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.963 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.76 126.12 29.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -105.37 128.86 53.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.341 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.617 HD12 HD12 ' A' ' 3' ' ' LEU . 2.3 pt? -135.48 153.11 51.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.006 0.431 . . . . 0.0 111.673 -172.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -106.43 125.23 50.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.748 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.618 ' HA ' HG13 ' A' ' 52' ' ' VAL . 47.6 t -72.3 121.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.02 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.81 157.36 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.166 0.507 . . . . 0.0 111.191 -172.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.53 141.86 51.59 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.088 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -66.97 163.45 44.16 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 30.2 Cg_endo -62.85 1.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.756 2.304 . . . . 0.0 113.837 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -133.28 17.21 4.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.684 0.278 . . . . 0.0 110.974 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.22 19.31 79.6 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.653 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -168.77 124.56 0.78 Allowed Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.74 176.44 39.91 Favored 'Cis proline' 0 C--O 1.236 0.413 0 C-N-CA 123.297 -1.543 . . . . 0.0 113.465 2.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.45 135.92 51.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.65 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.756 ' HG2' ' HG1' ' A' ' 60' ' ' THR . 41.6 mt-10 -110.19 119.42 39.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.149 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 40' ' ' VAL . 29.6 m -131.86 149.02 32.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.079 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -96.95 103.2 15.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.7 t -105.97 101.92 11.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.734 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 61.22 30.09 19.06 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.21 -3.18 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.599 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -108.42 117.27 33.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.73 111.54 12.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.803 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.412 HD23 HD12 ' A' ' 30' ' ' LEU . 8.2 mt -108.5 129.03 55.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.295 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.756 ' HG1' ' HG2' ' A' ' 51' ' ' GLU . 56.2 m -114.59 120.66 40.94 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -148.55 178.58 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.729 0.299 . . . . 0.0 111.282 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -92.69 161.72 14.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.505 -171.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.36 -38.57 87.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.704 -174.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -58.52 -36.29 73.6 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.93 0.395 . . . . 0.0 110.737 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.592 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.6 mt-10 -67.9 -43.92 78.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.049 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' HB2' ' HB2' ' A' ' 4' ' ' SER . . . -73.44 -26.49 60.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.557 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.77 -45.03 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.013 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.82 -21.87 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.121 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.716 HG12 HG11 ' A' ' 17' ' ' VAL . 72.5 mt -85.42 123.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.474 . . . . 0.0 111.31 -177.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -96.43 126.02 41.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.974 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.603 HG13 ' HA ' ' A' ' 14' ' ' VAL . 35.2 m -130.8 169.83 20.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -128.62 128.18 43.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.827 HD11 ' HE2' ' A' ' 1' ' ' MET . 42.6 mt -70.13 133.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.104 0.478 . . . . 0.0 111.217 -176.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.556 177.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HE3' HD22 ' A' ' 6' ' ' LEU . 28.1 ttt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.022 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 1.4 mptm? -77.59 152.73 33.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.178 0.513 . . . . 0.0 111.558 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.51 HD12 HD11 ' A' ' 6' ' ' LEU . 28.3 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.161 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -74.81 -13.72 60.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.107 -0.952 . . . . 0.0 111.199 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 1.022 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 50.4 mt-10 -89.48 3.71 51.5 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.964 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.51 HD11 HD12 ' A' ' 3' ' ' LEU . 63.0 mt -79.71 177.91 8.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.269 0.557 . . . . 0.0 111.656 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -115.29 162.68 16.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.965 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.8 104.46 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.88 1.78 28.66 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.099 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.94 163.68 27.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 110.69 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.75 120.36 26.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . . . -140.09 160.26 40.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.117 0.484 . . . . 0.0 111.615 -177.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 74' ' ' LEU . 34.5 tt0 -119.17 128.23 54.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.841 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.13 126.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.003 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.3 p -102.23 -36.64 8.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -160.66 147.55 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.494 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.629 HG13 HG12 ' A' ' 69' ' ' ILE . 59.4 t -122.89 116.2 48.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.84 99.1 8.75 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.64 -175.73 5.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.161 -174.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.564 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 2.6 mm-40 -52.9 142.03 35.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 173.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.564 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 10.2 Cg_endo -58.87 -37.01 95.95 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.375 2.05 . . . . 0.0 111.586 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.6 62.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.153 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.27 -46.67 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 28' ' ' MET . 53.1 ttp180 -59.49 -42.14 91.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.947 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -59.91 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.881 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 78.1 ttt180 -56.84 -45.79 82.14 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.29 -40.84 94.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.81 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 50.2 mtm -74.72 -31.03 61.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.807 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -64.37 -31.45 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.0 mt -72.05 -46.62 56.3 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.02 -1.89 0.7 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.385 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.53 ' O ' ' HG2' ' A' ' 28' ' ' MET . 6.2 tt -83.12 84.51 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 33.9 m -121.82 -174.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.928 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -67.62 115.97 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.62 -1.93 36.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.25 -175.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.14 126.74 31.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.595 0.236 . . . . 0.0 110.674 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -97.27 128.21 43.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 38' ' ' LEU . 2.1 pt? -139.7 148.25 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.174 0.511 . . . . 0.0 111.62 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -110.29 126.08 53.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.165 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.47 ' HA ' HG12 ' A' ' 52' ' ' VAL . 75.1 t -70.05 104.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -71.66 -61.57 1.73 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.89 0.376 . . . . 0.0 110.356 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -160.02 153.04 21.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.047 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.493 ' HD2' HG12 ' A' ' 50' ' ' ILE . 34.1 m-85 -92.45 153.97 18.79 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 165.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -58.13 155.15 26.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.41 8.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.48 0.7 0 C-N-CA 123.897 3.065 . . . . 0.0 114.381 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 44' ' ' ALA . 89.2 mt -131.34 -36.85 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.77 -25.16 0.83 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.854 177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -151.3 142.36 15.25 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -85.01 -167.52 5.14 Favored 'Cis proline' 0 C--O 1.234 0.313 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.216 1.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.493 HG12 ' HD2' ' A' ' 43' ' ' PHE . 48.8 mt -116.79 136.04 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -103.72 118.11 35.94 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 40' ' ' VAL . 18.5 m -122.65 136.97 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.08 0.467 . . . . 0.0 111.031 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.68 100.27 12.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -107.44 116.08 31.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.97 35.69 22.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.197 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.46 49.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.791 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.3 mtm -97.39 131.48 44.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.854 0.359 . . . . 0.0 110.728 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.73 105.95 13.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.068 0.461 . . . . 0.0 109.91 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.29 126.92 51.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.626 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 m -107.88 120.79 43.28 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.523 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -140.42 171.14 14.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.227 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 5.4 mmt180 -86.59 151.25 23.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.103 -173.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.67 -38.3 77.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.533 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -65.35 -28.43 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.597 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 38.7 mt-10 -71.43 -38.36 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.523 ' HB1' ' HE1' ' A' ' 61' ' ' MET . . . -66.48 -28.96 68.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 44.8 mm-40 -64.05 -40.48 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.113 0.482 . . . . 0.0 110.889 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.43 -18.59 69.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.038 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.629 HG12 HG13 ' A' ' 17' ' ' VAL . 69.8 mt -92.7 128.69 44.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 0.0 111.279 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 1' ' ' MET . 24.6 m -100.78 129.79 46.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.404 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.488 HG11 HD11 ' A' ' 3' ' ' LEU . 27.0 m -122.73 160.4 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 0.0 111.63 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.184 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.7 mm -70.71 126.8 31.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 13' ' ' GLU . 32.3 mt -86.67 42.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.471 0.653 . . . . 0.0 111.032 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.93 101.73 2.92 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.898 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.84 71.57 2.98 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.45 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -92.12 175.64 6.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -98.76 -164.68 1.16 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.82 3.57 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -174.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.9 t60 67.34 75.16 0.31 Allowed Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 123.83 0.852 . . . . 0.0 109.787 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.63 -7.39 8.63 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.893 2.395 . . . . 0.0 113.696 -175.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -112.81 130.74 55.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.17 -112.71 3.12 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.563 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -80.25 147.02 63.7 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.979 0.419 . . . . 0.0 111.49 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.66 87.8 1.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.854 2.369 . . . . 0.0 112.332 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.5 24.26 0.58 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.66 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -114.71 -30.02 6.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.738 0.304 . . . . 0.0 110.958 -178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -103.59 -33.33 9.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.301 0.572 . . . . 0.0 109.666 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -136.74 116.69 13.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.763 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -133.89 107.5 7.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.941 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -139.87 118.02 11.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 111.124 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -152.13 135.4 15.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.667 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.51 116.37 5.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.211 175.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . -177.11 -163.27 28.93 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 70.4 tttt 70.84 157.41 0.17 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.05 0.452 . . . . 0.0 111.011 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.545 ' N ' ' HG2' ' A' ' 95' ' ' LYS . 8.7 tpt180 -68.8 95.1 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.88 80.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.062 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.796 HD21 ' H ' ' A' ' 98' ' ' LEU . 1.5 pt? -76.42 80.6 3.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.594 0.711 . . . . 0.0 110.378 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -80.49 78.49 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.613 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -178.3 -44.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.187 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.542 ' HB2' HD13 ' A' ' 98' ' ' LEU . 96.5 m-70 -89.97 98.09 11.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.417 0.627 . . . . 0.0 111.494 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -117.17 -28.69 6.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.821 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -101.65 -5.73 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.756 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -112.74 128.83 56.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.48 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 . . . . . 0 C--O 1.252 1.187 0 O-C-N 124.21 0.944 . . . . 0.0 110.936 172.615 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 14.1 mptt -83.25 146.83 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.287 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.578 HD22 HD11 ' A' ' 69' ' ' ILE . 20.0 tp -65.05 -29.79 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.522 0.677 . . . . 0.0 109.234 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 t -75.34 -11.24 60.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.039 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER -93.76 -2.3 53.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 -178.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 3' ' ' LEU . 62.8 mt -76.86 160.16 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -111.06 169.53 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 108.99 4.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.068 0.461 . . . . 0.0 110.54 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.99 -12.37 20.09 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.212 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.27 137.78 40.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -115.16 122.88 47.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.732 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.93 158.52 43.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.843 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.628 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 15.5 pt-20 -108.19 144.98 34.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.783 0.325 . . . . 0.0 110.162 175.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.4 t -76.35 117.53 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -97.63 -26.81 14.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.65 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.479 ' HB3' ' HB ' ' A' ' 70' ' ' THR . 27.5 t -159.57 157.58 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.644 HG23 HG12 ' A' ' 69' ' ' ILE . 7.6 p -143.08 133.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.13 110.14 9.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.351 . . . . 0.0 110.657 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -164.42 174.06 11.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.116 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.13 146.41 77.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.349 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.58 -40.73 71.91 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.23 2.62 . . . . 0.0 113.124 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.01 86.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.099 0.476 . . . . 0.0 111.059 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.424 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 87.1 t -69.33 -41.88 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.969 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 28' ' ' MET . 35.6 ttm180 -60.88 -47.53 85.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.748 178.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -57.66 -41.09 80.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.617 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.459 HH11 ' HD3' ' A' ' 26' ' ' ARG . 16.9 ttt180 -61.73 -46.33 90.1 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 176.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.2 mt -62.33 -42.74 99.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.569 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.3 mtp -61.51 -38.12 86.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.15 -30.37 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.66 0.41 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.837 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.86 17.01 53.43 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.759 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 tt -98.37 93.95 6.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.243 0.544 . . . . 0.0 109.718 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.72 178.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.547 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -66.1 122.58 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -18.12 40.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.79 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 133.1 46.13 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HG2' ' HB3' ' A' ' 13' ' ' GLU . 38.3 mttp -109.78 130.63 55.5 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.123 -174.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -133.14 163.81 28.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.705 -173.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -135.59 134.93 39.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.652 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.742 ' HA ' HG12 ' A' ' 52' ' ' VAL . 57.2 t -73.1 126.45 33.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -91.29 -54.76 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.514 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 1.8 ptm180 -157.65 168.02 28.45 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.968 0.414 . . . . 0.0 111.339 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.5 148.61 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.415 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.687 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -75.01 165.84 50.52 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 173.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.687 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 31.1 Cg_endo -62.81 5.99 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.212 2.608 . . . . 0.0 114.105 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 44' ' ' ALA . 87.6 mt -131.97 11.48 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.694 0.283 . . . . 0.0 110.297 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.46 71.45 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.61 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -161.88 128.04 2.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 4.0 Cg_exo -78.48 -179.27 26.4 Favored 'Cis proline' 0 C--O 1.235 0.366 0 C-N-CA 123.663 -1.39 . . . . 0.0 113.416 1.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.29 137.57 55.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.204 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' OE2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -111.18 124.93 53.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.742 HG12 ' HA ' ' A' ' 40' ' ' VAL . 30.4 m -133.73 157.19 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.069 0.461 . . . . 0.0 111.477 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 50.6 t-20 -105.21 100.98 10.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.529 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 53.8 t -111.46 115.02 28.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.941 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 64.03 20.54 12.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.72 -1.04 63.36 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.881 -177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 57' ' ' MET . 32.6 tpp -96.57 127.79 42.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 105.21 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -130.33 140.46 50.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.406 -174.005 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.8 m -94.93 125.91 39.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.545 ' HE2' ' HB3' ' A' ' 66' ' ' ALA . 12.3 ptm -132.52 160.74 35.66 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.231 -177.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.511 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 6.4 mmm180 -87.2 156.91 19.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 0.0 110.388 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.19 -44.76 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.534 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 7.9 p30 -60.39 -28.62 68.37 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 -178.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.511 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 43.0 mt-10 -71.83 -38.79 70.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.545 ' HB3' ' HE2' ' A' ' 61' ' ' MET . . . -73.48 -25.98 60.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.754 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.534 ' HG3' ' HA ' ' A' ' 64' ' ' ASN . 2.5 mm-40 -60.22 -46.52 89.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.825 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.41 -16.71 67.66 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.169 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.644 HG12 HG23 ' A' ' 17' ' ' VAL . 64.9 mt -91.56 133.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.294 0.569 . . . . 0.0 111.323 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.479 ' HB ' ' HB3' ' A' ' 16' ' ' SER . 17.7 m -107.26 125.04 50.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.772 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.75 161.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.083 0.468 . . . . 0.0 111.509 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -125.25 119.92 29.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.215 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.2 mt -63.86 132.66 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.004 0.43 . . . . 0.0 110.689 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.566 HD13 ' HG2' ' A' ' 37' ' ' LYS . 48.0 mt -89.24 51.36 2.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.565 0.697 . . . . 0.0 110.666 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.92 -44.11 17.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.182 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.27 -103.38 2.06 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.966 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -151.06 -65.55 0.19 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.34 99.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.856 0.723 . . . . 0.0 111.523 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.491 ' O ' ' HD3' ' A' ' 81' ' ' PRO . . . -80.99 79.74 1.77 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.821 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -107.09 88.84 4.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 79' ' ' GLY . 64.0 Cg_exo -50.61 116.85 2.81 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.895 2.397 . . . . 0.0 113.19 -174.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -141.91 179.93 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.401 175.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.91 54.97 3.44 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.348 -0.93 . . . . 0.0 111.439 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -66.15 145.59 99.0 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -54.21 86.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.059 2.506 . . . . 0.0 112.088 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.49 -177.37 37.08 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.8 t80 59.81 70.37 0.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.781 0.8 . . . . 0.0 108.996 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -139.46 132.14 28.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.888 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -157.01 94.93 1.46 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.206 0.527 . . . . 0.0 111.006 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -157.93 30.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -67.54 108.22 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.928 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -77.8 153.14 33.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -119.06 147.59 43.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.36 148.98 19.18 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.307 -174.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -129.44 112.84 14.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -152.01 100.1 2.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.857 0.36 . . . . 0.0 110.558 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.54 150.48 41.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.81 93.68 6.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.083 0.468 . . . . 0.0 110.248 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -96.0 120.65 36.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.648 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -106.77 -169.22 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.423 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -76.06 -50.84 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.667 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -111.1 131.93 54.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.93 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -86.65 -26.43 24.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.463 0.649 . . . . 0.0 109.391 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -121.67 140.8 51.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.978 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.0 t60 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.885 -178.381 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.67 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -81.28 156.53 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.251 0.548 . . . . 0.0 112.017 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.58 HD12 HD13 ' A' ' 6' ' ' LEU . 31.3 tp -65.56 -29.74 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.525 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 t -71.91 -20.42 61.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.018 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.67 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 20.9 mm-40 -94.42 6.75 47.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.735 -176.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 73' ' ' ILE . 23.0 mt -82.25 -179.5 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.141 0.496 . . . . 0.0 111.564 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HE2' ' OD2' ' A' ' 10' ' ' ASP . 38.1 mtmt -126.21 169.27 13.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.359 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 109.41 7.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.24 5.38 34.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.686 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' OD2' ' HE2' ' A' ' 7' ' ' LYS . 1.2 m-20 -87.08 118.81 26.72 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.306 0.574 . . . . 0.0 110.707 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -100.77 119.96 39.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.556 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.769 ' HB2' HD12 ' A' ' 73' ' ' ILE . . . -134.89 172.68 12.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.315 -172.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -123.51 131.59 53.68 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.589 HG22 HD22 ' A' ' 38' ' ' LEU . 59.5 t -70.96 125.39 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.731 0.301 . . . . 0.0 110.845 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -89.95 -52.62 4.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.002 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -153.66 136.7 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.014 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG11 HG12 ' A' ' 69' ' ' ILE . 25.6 t -102.08 108.46 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.561 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.54 106.91 19.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.22 174.42 15.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 -173.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.838 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -62.47 142.85 96.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.318 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.838 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 1.1 Cg_endo -45.53 -49.1 10.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.217 2.611 . . . . 0.0 113.236 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.42 70.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 HG12 ' OE1' ' A' ' 65' ' ' GLU . 77.9 t -65.94 -44.29 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.018 0.437 . . . . 0.0 110.212 -177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -61.11 -43.54 98.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.709 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 51.5 tpt85 -59.91 -40.24 88.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.669 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 99.3 mtt180 -69.88 -47.35 62.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.729 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 41.4 mtm -69.35 -28.61 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 25' ' ' ARG . 15.9 t70 -68.09 -35.46 78.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.8 mt -73.44 -42.5 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.306 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.3 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 28' ' ' MET . 4.9 tt -101.61 91.33 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.25 -178.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -66.14 129.37 39.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.266 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 -0.98 79.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.97 126.2 30.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.83 0.347 . . . . 0.0 110.282 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -92.14 124.64 36.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.669 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD22 HG22 ' A' ' 14' ' ' VAL . 2.4 pt? -135.42 149.58 49.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 -176.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.73 124.58 47.65 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.701 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 52' ' ' VAL . 95.0 t -70.57 109.62 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.34 -54.8 20.41 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -171.41 165.87 7.0 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.298 0.57 . . . . 0.0 110.463 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.87 153.17 17.9 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 167.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.577 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . . . -64.3 162.25 34.49 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.577 ' HD2' ' HB3' ' A' ' 44' ' ' ALA . 25.1 Cg_endo -61.11 6.13 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.133 2.555 . . . . 0.0 113.796 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' A' ' 44' ' ' ALA . 95.3 mt -132.45 14.62 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.19 -20.45 16.68 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.387 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -144.21 138.89 15.25 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.29 -170.05 7.59 Favored 'Cis proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.666 -1.389 . . . . 0.0 113.515 0.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.619 HD11 ' HG3' ' A' ' 63' ' ' ARG . 38.8 mt -118.35 140.63 41.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.37 115.05 29.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.075 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.497 HG13 HG21 ' A' ' 40' ' ' VAL . 25.4 m -121.72 136.26 59.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.918 0.389 . . . . 0.0 110.753 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -97.79 101.41 12.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.5 t -107.03 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -173.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 57.0 26.65 12.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.085 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.3 62.81 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.936 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -105.87 121.94 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.17 109.07 15.36 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.57 140.33 39.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.991 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.1 m -127.06 129.45 48.04 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.63 176.8 11.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.789 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.605 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 18.0 mmm180 -79.64 149.31 31.33 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.619 ' HG3' HD11 ' A' ' 50' ' ' ILE . 67.4 ttt180 -62.35 -28.78 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -54.73 -42.66 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.853 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.3 mm-40 -67.29 -38.28 84.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.343 0.592 . . . . 0.0 109.91 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.48 64.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.144 -174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.28 -34.74 79.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.529 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.561 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.63 -34.35 83.47 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.568 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.659 HG12 HG11 ' A' ' 17' ' ' VAL . 50.9 mt -80.58 122.51 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.915 0.388 . . . . 0.0 111.152 -175.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 m -97.45 130.11 44.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.63 HG22 HD11 ' A' ' 6' ' ' LEU . 26.9 m -133.31 155.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -114.96 123.22 48.55 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.769 HD12 ' HB2' ' A' ' 12' ' ' ALA . 10.5 mm -68.93 122.29 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.215 0.531 . . . . 0.0 111.078 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.61 75.84 8.22 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.491 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.54 77.8 0.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.967 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.57 15.39 1.24 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.08 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -77.3 -50.58 12.53 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.1 156.73 19.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.44 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.82 117.68 1.75 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.902 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -70.26 143.58 91.13 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-O 120.712 0.292 . . . . 0.0 110.49 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.06 115.45 4.0 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.473 2.115 . . . . 0.0 111.778 176.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -64.23 105.6 0.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.494 0.664 . . . . 0.0 111.552 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.39 -115.53 0.46 Allowed Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 85' ' ' PRO . 18.2 t-105 -175.67 144.01 0.72 Allowed Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 84' ' ' TRP . 11.6 Cg_endo -57.38 109.21 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.4 2.067 . . . . 0.0 111.554 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.69 -67.75 0.66 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 t80 64.57 22.13 12.59 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.174 0.511 . . . . 0.0 110.508 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 68.01 92.08 0.08 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.666 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -78.04 169.61 17.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.067 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -84.3 92.93 8.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.092 0.472 . . . . 0.0 109.867 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -103.36 102.21 12.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.742 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -136.54 -56.79 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.724 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 61.72 97.63 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.636 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 95' ' ' LYS . . . -171.22 151.2 15.01 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.501 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 94' ' ' GLY . 63.7 mmtt 71.21 163.19 0.26 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 112.144 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 96' ' ' ARG . 39.5 ttm180 67.03 71.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.327 -178.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.78 128.97 15.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.388 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 94.3 mt -101.67 7.63 41.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.377 -174.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.778 ' HG2' ' H ' ' A' ' 100' ' ' HIS . 29.1 tt0 66.65 -170.79 0.19 Allowed 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.798 0.686 . . . . 0.0 109.644 -177.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.778 ' H ' ' HG2' ' A' ' 99' ' ' GLU . 91.3 m-70 -118.21 100.22 7.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.784 0.326 . . . . 0.0 110.336 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -101.16 -73.82 0.63 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.128 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.9 m80 61.25 -170.75 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.052 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -124.36 112.4 16.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 171.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -91.53 -75.29 0.48 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.117 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.239 178.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.524 ' HE2' HD23 ' A' ' 6' ' ' LEU . 11.8 tpt . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.86 0.362 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.543 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 12.8 mptt -78.0 155.87 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.629 HD12 HD13 ' A' ' 6' ' ' LEU . 37.8 tp -65.99 -31.66 72.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.853 173.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.402 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 3.9 p -77.75 -12.98 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.641 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.543 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 57.3 mm-40 -87.37 -6.5 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.629 HD13 HD12 ' A' ' 3' ' ' LEU . 84.9 mt -76.85 176.81 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.589 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 7.7 ptpp? -126.8 170.94 11.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.825 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 113.69 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.17 -12.1 19.7 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.643 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.589 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 5.0 m-20 -69.02 141.89 54.73 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.14 0.495 . . . . 0.0 111.432 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -117.22 121.29 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.889 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.14 155.86 45.34 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.221 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' HD21 ' A' ' 74' ' ' LEU . 10.2 pt-20 -107.26 138.6 43.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 172.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.37 128.22 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.167 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -96.48 -41.85 8.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.236 0.541 . . . . 0.0 109.994 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 p -157.12 142.85 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.218 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.663 HG21 HG12 ' A' ' 69' ' ' ILE . 2.6 p -118.86 109.87 28.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 178.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.35 100.49 13.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.686 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.18 164.08 36.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.488 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -62.69 144.73 96.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -47.44 -48.19 15.93 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.608 2.872 . . . . 0.0 113.662 -175.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.09 83.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.77 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.19 -44.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 28' ' ' MET . 41.8 ttp180 -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.787 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 5.6 tpt180 -57.73 -45.0 86.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.984 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.491 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 89.0 mtt180 -58.62 -43.73 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.496 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.24 -39.32 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.6 mtp -67.21 -38.62 85.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.16 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.49 -34.19 77.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.099 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.0 mt -68.93 -39.33 79.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 109.985 176.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.71 -9.69 2.1 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.254 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.23 94.0 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.489 -175.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -139.03 178.57 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.39 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -57.63 119.46 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 0.0 110.627 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -10.68 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.157 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB3' ' ND2' ' A' ' 55' ' ' ASN . . . -68.61 127.11 31.85 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.782 0.291 . . . . 0.0 111.123 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.03 133.0 34.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.181 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 38' ' ' LEU . 3.1 pp -137.59 152.31 49.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 0.0 111.472 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.83 129.19 55.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.44 171.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.718 ' HA ' HG12 ' A' ' 52' ' ' VAL . 52.9 t -73.72 116.63 16.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -88.01 -57.53 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.278 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -155.4 159.44 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.331 0.586 . . . . 0.0 110.847 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.79 149.93 39.15 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.072 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . . . -68.54 166.4 26.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HD2' ' HB3' ' A' ' 44' ' ' ALA . 18.8 Cg_endo -58.19 7.14 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.539 2.826 . . . . 0.0 114.19 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 44' ' ' ALA . 23.4 mt -131.11 -1.21 4.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.865 0.364 . . . . 0.0 110.281 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.81 -5.08 80.49 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.98 132.92 8.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.02 -175.24 16.33 Favored 'Cis proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.306 -1.539 . . . . 0.0 113.333 0.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -120.08 140.55 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.245 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -112.17 119.23 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.718 HG12 ' HA ' ' A' ' 40' ' ' VAL . 27.2 m -128.56 159.58 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.027 0.442 . . . . 0.0 111.303 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.479 HD21 HD11 ' A' ' 58' ' ' LEU . 25.9 t-20 -110.71 101.76 10.37 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.47 126.15 55.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 36' ' ' ALA . 27.5 m-80 62.22 21.58 12.56 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.94 0.39 85.69 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.189 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.472 ' HB3' HD21 ' A' ' 59' ' ' LEU . 37.4 ttm -104.09 134.42 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.837 0.351 . . . . 0.0 110.103 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.479 HD11 HD21 ' A' ' 53' ' ' ASN . 2.8 mm? -76.77 106.52 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 57' ' ' MET . 6.8 mt -108.83 139.12 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -177.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.3 m -130.72 119.74 22.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.464 0.649 . . . . 0.0 110.796 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 174.19 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.254 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.496 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -91.05 168.46 11.63 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.112 0.482 . . . . 0.0 110.5 -175.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -65.23 -27.24 68.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.898 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -52.75 -45.65 67.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.758 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.1 mp0 -71.97 -44.09 64.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.217 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 4' ' ' SER . . . -61.12 -37.34 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.416 -174.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.66 -40.93 89.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.238 0.542 . . . . 0.0 110.551 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.84 -31.14 77.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.229 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.663 HG12 HG21 ' A' ' 17' ' ' VAL . 63.7 mt -80.41 121.38 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.099 0.476 . . . . 0.0 111.239 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 m -100.17 129.35 46.18 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.529 HG23 HD11 ' A' ' 6' ' ' LEU . 33.8 m -127.75 166.8 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.07 0.462 . . . . 0.0 111.259 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -130.74 123.69 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.715 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 70.6 mt -67.1 134.19 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.195 0.521 . . . . 0.0 111.593 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 13' ' ' GLU . 81.7 mt -97.72 82.07 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.861 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.92 102.22 1.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.427 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.59 38.7 1.76 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.693 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 61.69 22.15 12.73 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.951 0.5 . . . . 0.0 111.676 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -88.14 -172.95 4.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.352 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.07 53.64 4.4 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 173.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -87.13 165.31 32.15 Favored Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 122.747 0.419 . . . . 0.0 110.789 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.45 145.1 29.68 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.035 2.49 . . . . 0.0 112.868 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -89.75 179.09 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.958 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -88.27 -149.84 19.31 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.512 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.44 ' CD2' ' HD2' ' A' ' 85' ' ' PRO . 70.8 t-105 -147.55 141.23 15.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.44 ' HD2' ' CD2' ' A' ' 84' ' ' TRP . 35.0 Cg_endo -66.89 110.47 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.736 2.291 . . . . 0.0 112.645 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.24 -51.26 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.799 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 56.48 39.58 29.9 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.483 0.658 . . . . 0.0 110.193 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -94.8 24.2 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.135 -175.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' HA ' ' HE ' ' A' ' 89' ' ' ARG . 4.4 tpm_? -134.64 55.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.25 0.548 . . . . 0.0 111.106 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 -82.01 96.63 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -142.75 99.84 3.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.216 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -97.18 13.53 28.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.88 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -102.48 150.26 23.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.427 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -174.4 -153.37 9.88 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.11 -1.043 . . . . 0.0 112.211 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 67.01 171.03 0.25 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.534 0.683 . . . . 0.0 111.721 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -151.56 -73.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.059 172.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.498 ' HB2' ' HG2' ' A' ' 99' ' ' GLU . . . -169.61 -61.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.27 175.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.7 mp 56.15 46.94 20.51 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.215 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.498 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 76.8 mm-40 -73.47 106.17 5.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.591 -178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -87.89 105.73 17.63 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -89.59 133.96 34.36 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.995 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -120.69 90.91 3.42 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -78.6 -52.1 8.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.31 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 60.98 -179.07 0.11 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.217 0.532 . . . . 0.0 111.442 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.2 t60 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.681 -0.676 . . . . 0.0 109.291 178.524 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.883 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 10.8 mptt -80.37 155.81 27.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.044 0.45 . . . . 0.0 111.073 -177.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.595 HD13 HD11 ' A' ' 6' ' ' LEU . 26.6 tp -65.33 -30.32 71.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.56 172.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 p -77.96 -14.5 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.868 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.883 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 52.6 mt-10 -84.69 -5.16 59.3 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.286 0.565 . . . . 0.0 110.631 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.595 HD11 HD13 ' A' ' 3' ' ' LEU . 84.4 mt -76.72 168.41 20.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.763 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.531 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 28.1 mmtm -108.07 166.18 10.92 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 92.6 0.93 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.179 0.514 . . . . 0.0 110.243 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 -10.43 4.81 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.573 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.531 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 1.5 m-20 -70.78 134.89 47.78 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 111.184 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HG2' HD11 ' A' ' 74' ' ' LEU . 30.3 ttm-85 -106.54 127.25 53.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.205 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.53 173.99 11.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.065 0.459 . . . . 0.0 111.239 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.614 ' HB2' HD22 ' A' ' 74' ' ' LEU . 44.6 tt0 -125.52 135.92 52.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.109 175.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.549 HG22 HD23 ' A' ' 38' ' ' LEU . 88.7 t -72.28 109.75 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.439 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 17.5 p -86.95 -30.44 21.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -161.27 149.51 15.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.636 0.255 . . . . 0.0 111.021 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.673 HG12 HG12 ' A' ' 69' ' ' ILE . 2.7 m -120.17 109.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.39 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.04 94.17 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.189 0.518 . . . . 0.0 111.229 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.15 176.77 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.479 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.57 143.73 36.45 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 123.318 0.386 . . . . 0.0 110.106 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.44 -35.19 74.86 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 123.076 2.517 . . . . 0.0 112.516 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -69.0 -49.86 54.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.81 -43.78 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.336 0.589 . . . . 0.0 109.739 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB3' ' HE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -54.05 -41.86 68.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.314 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -72.17 -45.86 58.73 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 95.5 mtt180 -59.01 -32.32 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.036 -177.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 93.3 mt -68.64 -46.07 70.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.356 -0.383 . . . . 0.0 109.977 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 27.5 mtm -65.8 -39.44 90.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -27.42 69.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.332 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 82.4 mt -76.6 -45.21 31.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.82 -0.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.427 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 4.9 tt -90.83 83.91 5.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -107.3 172.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.684 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 15' ' ' THR . 13.8 ttp85 -70.85 121.55 18.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -4.8 39.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.357 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 55' ' ' ASN . . . -75.28 132.02 40.74 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.763 -0.257 . . . . 0.0 110.622 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -92.69 129.9 38.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.576 ' CB ' ' HA ' ' A' ' 54' ' ' CYS . 2.4 pt? -137.05 164.89 27.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.063 0.458 . . . . 0.0 111.366 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -131.94 133.3 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.496 ' HA ' HG11 ' A' ' 52' ' ' VAL . 92.5 t -73.29 132.81 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.07 -56.05 2.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.734 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -158.02 156.66 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CE2' HG11 ' A' ' 40' ' ' VAL . 76.2 m-85 -116.79 138.7 51.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.119 174.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.635 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . . . -68.44 164.91 39.68 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.635 ' HD2' ' HB3' ' A' ' 44' ' ' ALA . 23.7 Cg_endo -61.08 6.35 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.774 0 C-N-CA 123.381 2.721 . . . . 0.0 114.163 -178.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' H ' ' C ' ' A' ' 44' ' ' ALA . 96.6 mt -132.22 11.71 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.25 19.62 70.53 Favored Glycine 0 C--N 1.332 0.347 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -172.77 128.89 0.56 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 114.72 -0.74 . . . . 0.0 109.099 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.04 -179.84 28.79 Favored 'Cis proline' 0 C--O 1.234 0.311 0 C-N-CA 123.321 -1.533 . . . . 0.0 113.164 -0.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.6 mt -121.08 135.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 -177.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.12 118.56 37.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 40' ' ' VAL . 27.5 m -131.98 149.28 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.059 0.457 . . . . 0.0 111.33 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 57' ' ' MET . 46.3 t-20 -102.95 100.85 10.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.576 ' HA ' ' CB ' ' A' ' 38' ' ' LEU . 51.6 t -101.45 107.04 18.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -174.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 42.1 t30 63.14 31.24 15.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.507 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.76 22.1 21.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.536 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.648 ' HE1' HD22 ' A' ' 59' ' ' LEU . 33.8 ttp -138.22 129.41 27.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.534 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 58' ' ' LEU . 5.7 mp -95.71 110.32 22.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.648 HD22 ' HE1' ' A' ' 57' ' ' MET . 0.7 OUTLIER -134.74 134.32 40.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.239 0.543 . . . . 0.0 110.773 -177.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.1 m -102.18 120.92 41.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.172 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -136.26 179.51 6.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -91.85 159.93 15.55 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.029 0.443 . . . . 0.0 111.254 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -65.45 -35.16 80.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.433 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -58.23 -30.13 66.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.125 0.488 . . . . 0.0 110.527 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.506 ' O ' HG13 ' A' ' 69' ' ' ILE . 29.9 mt-10 -75.61 -42.89 50.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.057 176.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.55 75.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.026 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 42.7 mm-40 -54.83 -43.86 73.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.191 0.52 . . . . 0.0 110.697 173.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.08 -28.5 73.79 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.394 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.673 HG12 HG12 ' A' ' 17' ' ' VAL . 76.9 mt -80.49 120.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.265 0.555 . . . . 0.0 111.065 -177.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.4 m -96.92 128.77 44.21 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.154 175.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 6' ' ' LEU . 35.5 m -127.54 166.23 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.094 0.473 . . . . 0.0 111.153 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -128.09 126.74 41.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.972 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.86 132.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 111.069 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 13' ' ' GLU . 79.1 mt -81.62 79.36 8.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.705 -178.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.91 -170.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.223 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -98.32 34.97 4.87 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.699 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -105.66 107.58 18.65 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.51 100.21 4.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.764 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -134.3 29.64 3.01 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -150.67 158.57 35.39 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -78.15 127.62 8.52 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.668 2.245 . . . . 0.0 110.823 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -57.06 -59.55 4.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 110.749 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 176.8 142.92 4.58 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.602 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.455 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -123.33 143.52 41.42 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.603 0.239 . . . . 0.0 110.621 -179.292 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 1.5 Cg_endo -86.83 -176.7 2.03 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.324 2.683 . . . . 0.0 112.73 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.28 65.82 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.0 -45.4 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.829 -0.186 . . . . 0.0 111.24 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 62.53 85.97 0.12 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.614 0.571 . . . . 0.0 110.214 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -75.08 154.79 37.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.452 0.644 . . . . 0.0 112.437 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 90' ' ' ARG . 3.9 ptp180 -148.34 147.06 28.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.602 173.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -162.53 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 64.92 102.99 0.04 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.313 0.578 . . . . 0.0 111.787 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -153.89 -177.55 6.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.678 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.51 110.73 0.48 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.226 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -114.19 145.51 41.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -83.35 174.06 11.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.764 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -132.48 132.83 43.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.956 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -128.89 129.49 45.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.075 0.464 . . . . 0.0 110.514 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -145.23 150.33 36.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.313 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -72.34 146.75 46.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -75.97 123.44 25.74 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.23 98.56 5.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.396 0.617 . . . . 0.0 110.711 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.99 -57.27 0.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -156.14 158.51 37.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.544 -1.207 . . . . 0.0 108.462 172.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.266 -176.351 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.632 ' HE1' HG12 ' A' ' 73' ' ' ILE . 54.0 ttp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.718 0.294 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.881 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 14.1 mptt -83.3 159.28 21.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.75 HD13 HD13 ' A' ' 6' ' ' LEU . 46.1 tp -65.64 -29.76 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.489 171.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 18.2 p -75.46 -10.88 59.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.389 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.881 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 41.0 mt-10 -93.84 -9.03 38.69 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.849 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.75 HD13 HD13 ' A' ' 3' ' ' LEU . 81.6 mt -69.27 163.29 25.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.087 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.624 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 5.5 ptpp? -132.93 24.91 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.52 137.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.374 0.607 . . . . 0.0 111.483 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.22 5.8 86.95 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.624 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 70.2 m-20 -102.69 126.67 49.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.058 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -102.61 120.45 40.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.607 ' HB1' HD13 ' A' ' 73' ' ' ILE . . . -138.97 155.86 47.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.96 -175.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -104.4 141.31 36.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.47 109.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.594 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 p -83.69 -36.39 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.631 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -155.88 127.63 7.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.416 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.788 HG23 HG12 ' A' ' 69' ' ' ILE . 2.9 p -108.99 109.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.293 0.568 . . . . 0.0 110.858 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.3 141.41 37.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.156 176.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 24' ' ' ARG . . . -172.6 -176.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.674 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.19 144.53 99.05 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -47.58 -46.1 21.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.404 2.736 . . . . 0.0 112.964 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.99 75.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.309 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.465 HG11 ' HG2' ' A' ' 65' ' ' GLU . 53.8 t -70.92 -43.78 76.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.842 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.587 ' O ' ' HG3' ' A' ' 28' ' ' MET . 5.5 tmm_? -62.21 -37.64 86.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.901 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -66.5 -47.18 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.923 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.539 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 tmt_? -61.61 -40.33 94.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.742 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -65.22 -38.64 91.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.761 177.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.587 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.2 mtm -71.82 -31.37 66.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.519 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.77 -30.11 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 83.8 mt -72.08 -43.27 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.39 5.78 0.48 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.827 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tt -92.35 92.97 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.107 0.48 . . . . 0.0 109.862 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.99 -178.13 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.855 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -67.56 120.57 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.53 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.27 0.46 40.94 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.134 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.69 128.89 36.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.536 0.207 . . . . 0.0 110.797 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 10.8 mptt -95.65 126.01 40.63 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 3.4 pp -130.9 154.92 47.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 0.0 111.738 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -125.9 123.67 39.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.087 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.69 116.47 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 53' ' ' ASN . 68.0 mt -79.75 -56.88 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 -175.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -169.18 164.69 11.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 91.8 m-85 -108.28 156.92 18.83 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.67 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -65.05 167.78 8.93 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 171.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 11.1 Cg_endo -54.0 -7.16 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.158 2.572 . . . . 0.0 113.749 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -132.09 19.61 4.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 0.0 110.177 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.613 ' HA2' ' HB3' ' A' ' 43' ' ' PHE . . . 82.72 -40.72 2.79 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.185 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.28 132.05 21.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.893 0.477 . . . . 0.0 110.16 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.57 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 5.0 Cg_exo -80.19 -178.66 23.62 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 124.112 -1.203 . . . . 0.0 113.288 0.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG12 ' HD1' ' A' ' 43' ' ' PHE . 57.2 mt -117.09 134.47 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.691 -176.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -94.66 117.69 30.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.51 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.7 m -130.93 140.93 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.217 0.532 . . . . 0.0 111.633 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 26.8 t-20 -94.76 100.9 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.557 ' HB3' HD23 ' A' ' 59' ' ' LEU . 50.9 t -109.33 114.57 28.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -174.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 63.52 29.37 15.34 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.658 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.22 14.31 80.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.739 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.1 ttm -118.22 142.5 47.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.9 mt -82.75 111.62 18.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.703 0.287 . . . . 0.0 110.339 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 54' ' ' CYS . 3.9 mm? -113.85 147.12 38.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.266 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.2 m -127.69 119.56 26.09 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.465 ' HE3' HD13 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -135.02 168.03 19.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.566 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.57 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 13.8 mmm-85 -94.5 163.6 13.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.806 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -64.74 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.558 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -61.0 -33.85 73.9 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.575 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.465 ' HG2' HG11 ' A' ' 23' ' ' VAL . 1.3 mp0 -74.99 -35.08 62.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.133 0.492 . . . . 0.0 110.03 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 4' ' ' SER . . . -66.67 -29.69 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.805 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.35 -37.92 88.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.721 0.296 . . . . 0.0 110.586 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.08 -30.33 75.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.427 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.788 HG12 HG23 ' A' ' 17' ' ' VAL . 56.1 mt -81.69 121.17 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.974 0.416 . . . . 0.0 111.267 -175.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.7 m -101.41 132.46 46.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG23 HD11 ' A' ' 6' ' ' LEU . 35.4 m -126.84 159.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.114 0.483 . . . . 0.0 111.794 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -123.77 121.71 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.464 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.632 HG12 ' HE1' ' A' ' 1' ' ' MET . 23.5 mm -64.65 126.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.161 0.505 . . . . 0.0 111.735 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.57 81.91 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.713 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.91 -154.59 0.55 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.196 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.12 67.39 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.551 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -138.77 150.84 46.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.43 -85.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.322 -0.151 . . . . 0.0 110.603 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.49 -93.58 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.519 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 20.7 p-80 -142.12 164.06 36.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 80' ' ' HIS . 11.8 Cg_endo -56.42 103.18 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.517 2.145 . . . . 0.0 112.304 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -86.75 -3.41 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.63 78.44 0.92 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.485 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -71.97 143.77 86.94 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -46.94 98.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.347 2.698 . . . . 0.0 113.219 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.79 83.71 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.443 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -93.89 107.49 19.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.349 0.595 . . . . 0.0 110.55 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -111.06 118.35 35.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.007 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 89' ' ' ARG . 5.8 mtp-105 -112.63 148.74 33.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.536 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -93.76 117.11 29.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -79.66 108.51 13.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.644 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -100.05 137.96 37.78 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -104.37 143.59 32.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -172.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -122.64 105.23 0.94 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.735 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -89.25 144.68 25.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.764 0.316 . . . . 0.0 110.844 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.489 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 4.0 mmp_? -124.63 110.93 15.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.812 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.19 122.1 34.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.3 tp -116.69 120.01 37.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.086 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -121.43 132.58 54.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.594 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -167.73 137.09 2.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.514 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -126.43 126.87 44.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -76.33 -41.71 47.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.762 -173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.5 t60 57.79 69.7 0.71 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.228 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 60.8 m80 59.6 62.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.457 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.537 -0.744 . . . . 0.0 111.327 178.164 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.037 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 5.3 mptp? -72.81 152.88 41.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.541 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.622 HD11 HD12 ' A' ' 6' ' ' LEU . 41.2 tp -65.32 -30.28 71.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.505 0.669 . . . . 0.0 109.327 171.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.5 t -76.46 -11.79 59.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.155 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 1.037 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 8.3 mm-40 -82.17 -14.6 55.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.651 0.263 . . . . 0.0 110.635 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD12 HD11 ' A' ' 3' ' ' LEU . 89.0 mt -70.09 168.38 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 23.6 pttm -133.28 24.84 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -169.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.529 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 69.75 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.649 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.09 -7.62 64.6 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 26.9 m-20 -91.02 137.76 32.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.45 -178.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -113.68 125.1 53.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 173.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.43 156.82 47.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.274 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.759 ' HB2' HD21 ' A' ' 74' ' ' LEU . 35.7 tt0 -100.47 135.52 41.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.2 107.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.47 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.7 p -83.42 -34.78 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.172 0.511 . . . . 0.0 110.08 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -164.53 143.23 7.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.297 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.739 HG22 HG12 ' A' ' 69' ' ' ILE . 2.8 p -120.53 112.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.25 109.56 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.212 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.59 161.44 41.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.153 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.72 146.18 90.91 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -40.85 -52.91 3.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.951 3.101 . . . . 0.0 113.686 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.01 98.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.632 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 86.8 t -71.87 -42.02 69.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.618 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' O ' ' HG3' ' A' ' 28' ' ' MET . 6.2 tmm_? -63.33 -39.51 94.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.49 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -72.6 -38.04 67.94 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.0 ttt-85 -58.5 -43.93 89.23 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.396 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 94.5 mt -64.12 -39.29 93.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.5 mtm -69.54 -34.36 74.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.785 0.326 . . . . 0.0 110.433 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -66.13 -28.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.07 -39.93 48.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.205 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.69 3.23 0.71 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.851 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tt -92.18 97.39 10.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.981 0.42 . . . . 0.0 109.887 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.18 176.8 8.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.433 HH21 ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -69.25 116.23 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.433 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 105.81 -0.96 38.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.082 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.3 143.75 42.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.747 0.308 . . . . 0.0 110.599 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -104.22 120.49 41.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.2 pp -120.43 146.47 46.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.323 0.583 . . . . 0.0 111.406 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -123.03 120.28 32.86 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.708 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 8' ' ' ALA . 94.1 t -71.67 114.57 10.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.747 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -80.18 -49.15 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 44.8 ttt-85 -173.02 161.58 4.43 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.463 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.409 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 98.3 m-85 -115.22 144.54 43.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.574 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.673 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . . . -64.29 166.12 11.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.673 ' HD2' ' HB3' ' A' ' 44' ' ' ALA . 24.5 Cg_endo -61.16 5.17 0.18 Allowed 'Trans proline' 0 N--CA 1.48 0.702 0 C-N-CA 123.107 2.538 . . . . 0.0 113.888 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' ALA . 97.4 mt -133.43 6.28 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.715 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.88 4.82 86.19 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.135 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -149.83 126.2 5.21 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.33 -174.69 14.83 Favored 'Cis proline' 0 C--O 1.237 0.425 0 C-N-CA 123.559 -1.434 . . . . 0.0 113.61 1.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.434 HG22 HG13 ' A' ' 52' ' ' VAL . 68.3 mt -123.62 133.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.472 -177.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -101.12 117.21 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.659 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG22 ' HE3' ' A' ' 61' ' ' MET . 30.1 m -132.27 149.1 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 25.7 t-20 -106.0 106.93 17.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.583 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.8 t -107.14 111.62 24.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.496 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 56.41 27.97 12.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.707 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.46 -2.8 63.11 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.282 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -100.78 130.59 46.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.062 0.431 . . . . 0.0 110.291 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD23 HD21 ' A' ' 53' ' ' ASN . 78.6 mt -83.55 103.19 12.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -105.29 133.04 50.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.185 -175.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.5 m -102.77 119.89 39.63 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.436 ' HE3' HG22 ' A' ' 52' ' ' VAL . 52.3 mtm -130.49 169.15 15.93 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -95.75 175.07 6.66 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.767 177.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -65.25 -33.79 76.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -53.94 -49.83 67.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.148 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 69' ' ' ILE . 15.2 mp0 -62.85 -47.91 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.511 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.42 73.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.303 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 5.9 mm-40 -65.62 -41.46 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.221 0.534 . . . . 0.0 110.342 175.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.03 -31.08 74.5 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.722 -0.672 . . . . 0.0 113.067 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.739 HG12 HG22 ' A' ' 17' ' ' VAL . 61.7 mt -77.59 129.55 37.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.119 0.485 . . . . 0.0 111.885 -175.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -103.37 120.08 40.12 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.475 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.7 m -122.95 167.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.746 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -133.91 123.39 24.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.463 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.91 128.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.164 0.507 . . . . 0.0 111.415 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' A' ' 13' ' ' GLU . 96.2 mt -84.07 83.35 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.667 -177.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.18 148.52 11.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.292 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.41 77.67 2.06 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 78' ' ' GLU . 8.9 t70 -84.76 -173.21 4.6 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -174.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.42 ' H ' ' CG ' ' A' ' 77' ' ' ASP . 38.2 tt0 -64.39 -55.24 22.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.067 0.461 . . . . 0.0 110.913 -176.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.37 72.05 0.32 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.063 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -76.16 144.36 75.06 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 120.667 0.27 . . . . 0.0 110.698 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.1 109.79 2.27 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 123.01 2.474 . . . . 0.0 113.07 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -78.61 156.79 28.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.968 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.97 174.96 42.91 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.558 ' CD2' ' HD2' ' A' ' 85' ' ' PRO . 62.9 t-105 -112.41 141.12 24.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.558 ' HD2' ' CD2' ' A' ' 84' ' ' TRP . 80.9 Cg_endo -79.38 -0.08 10.44 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.652 2.235 . . . . 0.0 113.241 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.02 -66.01 1.61 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.896 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.498 ' O ' ' HD2' ' A' ' 88' ' ' ARG . 77.2 t80 62.22 91.14 0.07 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.175 0.512 . . . . 0.0 111.206 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.498 ' HD2' ' O ' ' A' ' 87' ' ' PHE . 8.0 mpt_? -130.64 117.74 19.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.512 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 72.1 148.95 0.09 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.944 0.777 . . . . 0.0 111.946 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.796 ' H ' ' HD3' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -91.06 176.16 6.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.189 178.54 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -119.39 -30.29 4.93 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.192 -0.203 . . . . 0.0 111.242 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -125.04 143.97 50.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.108 0.48 . . . . 0.0 111.519 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -122.78 101.7 7.6 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . -88.99 109.55 3.58 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 -163.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 94' ' ' GLY . 8.8 ptpp? 178.68 153.94 0.38 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.698 0.799 . . . . 0.0 108.872 167.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -159.68 137.85 10.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.32 104.5 14.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 HD21 ' H ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -112.53 30.01 7.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.171 0.51 . . . . 0.0 110.879 -175.055 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -112.19 136.0 52.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -101.08 81.8 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.411 0.624 . . . . 0.0 110.16 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -127.7 135.19 49.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.358 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -56.93 135.71 55.99 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.632 0.583 . . . . 0.0 111.479 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -147.79 149.33 32.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.774 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -103.82 -33.41 8.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.626 0.25 . . . . 0.0 111.179 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.878 179.734 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE3' HG12 ' A' ' 73' ' ' ILE . 55.4 ttp . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.928 0.394 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.9 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.1 mptt -81.97 158.78 23.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 -173.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.561 HD11 HD12 ' A' ' 6' ' ' LEU . 43.2 tp -65.81 -28.92 69.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.657 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -74.95 -20.74 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.649 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.9 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 54.4 mt-10 -87.0 -2.71 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.952 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.759 HD22 HD13 ' A' ' 73' ' ' ILE . 29.3 mt -71.58 175.95 5.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.7 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -121.07 161.62 21.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 108.59 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.493 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -3.32 25.83 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.019 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -80.58 137.95 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.792 0.329 . . . . 0.0 111.105 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.573 HH22 ' HB3' ' A' ' 87' ' ' PHE . 81.8 mtt180 -100.91 131.73 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.611 175.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.95 159.37 42.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.185 0.516 . . . . 0.0 111.53 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' HB2' HD21 ' A' ' 74' ' ' LEU . 40.7 tt0 -116.99 128.09 54.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.58 123.69 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.791 0.329 . . . . 0.0 110.961 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 p -103.45 -28.24 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.428 ' HB2' ' HB ' ' A' ' 70' ' ' THR . 60.2 m -154.69 144.29 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.625 0.25 . . . . 0.0 111.044 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.423 HG13 HG12 ' A' ' 69' ' ' ILE . 22.4 t -128.67 128.95 68.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.513 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.514 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -134.27 118.82 17.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.737 0.303 . . . . 0.0 110.565 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.39 177.7 10.97 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -59.6 145.34 83.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -45.39 -52.03 7.15 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.711 2.941 . . . . 0.0 113.971 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.08 59.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 0.0 111.086 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.95 -42.24 46.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -63.8 -38.94 92.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.519 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -56.02 -47.67 77.39 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 174.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -60.89 -43.8 97.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.77 -48.57 78.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.688 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.603 ' SD ' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -69.73 -29.24 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.962 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.9 -41.49 91.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.23 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.3 -63.51 1.05 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.993 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 163.87 30.76 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -105.57 87.64 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.603 HG13 ' SD ' ' A' ' 28' ' ' MET . 35.5 m -132.59 179.55 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -67.45 117.59 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 -3.45 49.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.133 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.19 130.77 39.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -108.56 126.66 53.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.656 -175.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -136.16 165.3 26.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.211 0.529 . . . . 0.0 111.741 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -127.55 129.15 46.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.861 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.775 ' HA ' HG13 ' A' ' 52' ' ' VAL . 60.3 t -69.64 129.61 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.108 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.846 HD11 HD22 ' A' ' 58' ' ' LEU . 86.1 mt -92.77 -59.48 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.146 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -166.69 161.95 16.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.086 0.469 . . . . 0.0 110.254 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.447 ' HD1' HG12 ' A' ' 50' ' ' ILE . 75.6 m-85 -113.79 150.99 32.64 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -71.29 164.22 59.15 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 28.9 Cg_endo -62.13 6.1 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.6 0 C-N-CA 123.348 2.699 . . . . 0.0 114.125 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 44' ' ' ALA . 96.1 mt -132.65 6.28 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.42 6.77 86.81 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.694 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -151.12 124.99 4.38 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.84 -176.51 14.86 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.596 -1.418 . . . . 0.0 112.828 -0.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.447 HG12 ' HD1' ' A' ' 43' ' ' PHE . 61.1 mt -118.99 134.32 62.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.298 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.05 118.83 37.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.775 HG13 ' HA ' ' A' ' 40' ' ' VAL . 19.6 m -136.86 144.07 33.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.754 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -88.94 101.11 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 38.0 t -114.58 121.62 44.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.38 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 64.38 25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.789 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.89 -7.4 67.53 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.006 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.449 ' HB2' HD21 ' A' ' 59' ' ' LEU . 62.1 mtm -113.23 137.84 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.843 0.322 . . . . 0.0 111.023 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.846 HD22 HD11 ' A' ' 41' ' ' LEU . 43.7 mt -75.3 101.95 4.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 HD21 ' HB2' ' A' ' 57' ' ' MET . 9.6 mt -100.83 152.14 20.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -176.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.5 m -134.9 120.21 18.99 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.235 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.58 173.4 11.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.147 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.494 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 1.0 OUTLIER -90.71 165.77 13.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.264 0.554 . . . . 0.0 111.167 -175.484 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -65.07 -27.52 68.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.731 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.403 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 25.9 m-20 -54.12 -46.25 72.11 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.304 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.616 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.5 mp0 -68.11 -49.19 62.75 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.468 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.18 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.079 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.104 0.478 . . . . 0.0 110.755 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.93 -20.33 72.49 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.141 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 65' ' ' GLU . 43.5 mt -92.34 124.83 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.259 0.552 . . . . 0.0 111.12 -176.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' A' ' 16' ' ' SER . 56.7 m -99.52 129.31 45.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.204 175.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 6' ' ' LEU . 32.7 m -125.46 163.06 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.991 0.424 . . . . 0.0 111.325 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -126.76 124.5 39.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.547 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.759 HD13 HD22 ' A' ' 6' ' ' LEU . 21.9 mm -64.94 128.75 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -178.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 13' ' ' GLU . 85.7 mt -83.77 70.25 10.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.24 99.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.81 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.71 36.14 0.57 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.192 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -142.95 102.18 3.97 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.87 150.46 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.4 12.15 49.28 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -174.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -81.33 154.34 71.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.132 -0.534 . . . . 0.0 110.654 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.54 121.75 9.24 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.561 2.174 . . . . 0.0 111.679 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -141.09 99.25 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.232 0.539 . . . . 0.0 110.338 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -164.36 21.63 0.15 Allowed Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.763 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -134.34 143.91 48.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.12 161.54 3.45 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.959 2.439 . . . . 0.0 113.057 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.74 172.54 55.17 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.739 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' HB3' HH22 ' A' ' 11' ' ' ARG . 82.1 t80 -114.0 160.46 18.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 76.06 130.8 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 124.222 0.951 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -91.02 163.8 14.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.02 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -75.08 103.34 5.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.163 0.506 . . . . 0.0 109.637 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -104.26 172.35 6.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.102 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -61.61 148.55 42.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.747 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -84.11 132.41 34.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.568 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.67 93.22 0.92 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.13 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -83.43 150.48 26.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.772 0.32 . . . . 0.0 110.547 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -125.06 116.15 21.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.125 0.488 . . . . 0.0 110.042 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.14 136.13 37.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.615 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 94.6 mt -82.4 119.49 24.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.543 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -105.44 89.55 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.844 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.438 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 32.5 m-70 -109.64 -40.7 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.47 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.4 m170 69.08 157.59 0.15 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.908 0.755 . . . . 0.0 111.261 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -88.29 59.03 5.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.185 0.517 . . . . 0.0 111.282 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -82.61 -28.09 31.04 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 171.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.453 ' CG ' ' H ' ' A' ' 105' ' ' HIS . 9.0 t-80 64.5 -165.96 0.23 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.595 177.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.453 ' H ' ' CG ' ' A' ' 104' ' ' HIS . 93.7 m-70 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.115 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HG3' ' OE1' ' A' ' 5' ' ' GLU . 37.5 ttp . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.774 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 5.3 mptp? -77.89 152.63 33.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.021 0.438 . . . . 0.0 111.286 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.636 HD11 HD11 ' A' ' 6' ' ' LEU . 34.7 tp -65.31 -30.18 71.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.288 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -77.17 -13.39 59.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.241 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.774 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 61.3 mt-10 -93.47 -0.72 56.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.411 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.636 HD11 HD11 ' A' ' 3' ' ' LEU . 43.3 mt -78.95 179.29 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 111.856 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.9 157.6 44.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.709 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 111.74 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.337 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.12 -6.2 21.68 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.174 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 152.79 27.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.615 0.245 . . . . 0.0 110.508 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -131.31 124.11 29.75 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.59 163.24 33.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.414 . . . . 0.0 111.516 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -111.9 128.22 56.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 49.3 t -68.93 125.74 27.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.052 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.442 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 16.3 p -103.67 -20.93 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.756 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.1 t -165.04 136.04 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 110.898 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.66 HG12 HG12 ' A' ' 69' ' ' ILE . 21.5 t -112.38 108.77 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.569 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.27 131.72 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.853 0.359 . . . . 0.0 110.761 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.84 -178.48 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.29 143.45 79.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -45.73 -48.31 12.43 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.495 2.797 . . . . 0.0 113.34 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.78 62.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.79 0.328 . . . . 0.0 111.412 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.63 -40.16 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.201 0.524 . . . . 0.0 110.432 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 28' ' ' MET . 23.2 ttm180 -57.3 -51.68 68.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.478 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -72.4 -26.08 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.102 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.528 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 18.8 ttt180 -62.28 -40.62 96.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD12 ' HG2' ' A' ' 65' ' ' GLU . 84.1 mt -75.07 -38.88 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 94.7 mtp -65.55 -40.86 93.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.201 0.524 . . . . 0.0 110.403 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -26.22 66.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.639 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.5 mt -71.17 -41.43 70.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.0 1.28 0.71 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.434 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.54 87.94 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.2 m -133.26 -176.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' HG3' ' HA ' ' A' ' 15' ' ' THR . 11.1 ttm180 -64.18 124.66 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.7 -9.03 47.63 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.561 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -70.68 113.55 7.89 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -93.96 117.21 29.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.8 pp -129.05 156.57 43.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.291 0.567 . . . . 0.0 112.13 -173.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -124.38 128.26 48.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.426 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.6 t -72.92 122.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.2 mt -82.49 -65.98 0.94 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.279 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -153.47 163.41 40.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.435 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -107.04 145.28 32.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.332 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -64.53 163.23 28.24 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 24.4 Cg_endo -61.62 6.11 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.19 2.593 . . . . 0.0 114.078 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 44' ' ' ALA . 80.9 mt -132.59 10.88 4.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 0.0 110.062 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.87 13.78 78.67 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.946 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -168.57 129.09 1.06 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.796 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 90.6 Cg_endo -80.5 -168.13 6.56 Favored 'Cis proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.549 -1.438 . . . . 0.0 113.575 0.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.0 mt -124.89 138.84 52.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.534 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.4 118.06 36.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.2 m -126.83 138.63 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.148 0.499 . . . . 0.0 111.24 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 22.0 t-20 -92.93 101.3 13.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.561 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 48.2 t -105.82 113.24 26.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 65.57 21.4 11.72 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.759 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.87 72.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.473 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HE1' HD21 ' A' ' 59' ' ' LEU . 40.0 ttp -118.29 141.25 48.71 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 112.14 19.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.111 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD21 ' HE1' ' A' ' 57' ' ' MET . 3.6 mm? -114.03 145.33 41.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.2 m -135.14 120.46 19.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.636 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -140.96 165.94 26.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -178.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.796 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 11.7 mmm-85 -92.03 165.62 13.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.248 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -63.78 -35.83 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.216 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.03 -28.01 68.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.734 0.302 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.6 mp0 -75.53 -47.87 25.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 171.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.47 ' HB2' ' CE ' ' A' ' 61' ' ' MET . . . -60.2 -29.74 68.92 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.13 -45.33 85.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.11 -34.28 85.9 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.568 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.66 HG12 HG12 ' A' ' 17' ' ' VAL . 53.6 mt -74.33 125.38 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.087 0.47 . . . . 0.0 110.716 -177.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.5 m -113.64 126.32 55.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.19 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.414 HG22 HD12 ' A' ' 6' ' ' LEU . 29.3 m -119.68 157.29 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.124 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -109.48 127.0 54.11 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.404 HD13 HD22 ' A' ' 6' ' ' LEU . 36.3 mm -64.13 124.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.446 0.641 . . . . 0.0 112.537 -174.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.7 mt -90.89 85.02 5.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.614 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.91 -178.62 6.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.035 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.06 -108.84 3.15 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.375 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -162.88 172.99 14.29 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 69.33 95.32 0.07 Allowed 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.836 0.71 . . . . 0.0 110.627 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' O ' ' HD3' ' A' ' 81' ' ' PRO . . . -161.29 -157.19 8.65 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -113.34 87.99 12.16 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 79' ' ' GLY . 10.1 Cg_exo -70.25 110.28 2.61 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 123.278 2.652 . . . . 0.0 114.017 -170.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -111.21 -44.73 3.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.002 170.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.33 144.54 17.09 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.916 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -130.79 142.24 44.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.1 -53.99 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.664 2.242 . . . . 0.0 112.514 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.79 -152.61 19.1 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.884 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -127.54 103.92 7.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.747 0.308 . . . . 0.0 110.485 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -82.21 -4.49 57.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.244 0.545 . . . . 0.0 110.205 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.623 ' NE ' ' HA ' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -126.18 133.7 51.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.879 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -142.94 148.48 36.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.152 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 47.6 m80 61.2 -169.38 0.17 Allowed 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.815 0.697 . . . . 0.0 111.498 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 92' ' ' ARG . 10.8 ptp180 -170.94 31.84 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.632 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' ARG . 91.0 m-85 69.42 177.82 0.26 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.482 -176.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 142.73 -151.91 23.47 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.525 ' N ' ' HD3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -145.12 116.98 8.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.304 0.573 . . . . 0.0 110.471 178.295 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -105.86 98.68 8.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.602 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.03 109.26 12.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.694 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.25 87.09 7.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.09 151.75 41.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.985 -174.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -80.49 164.0 23.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.2 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -135.76 131.9 36.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.788 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.2 t60 65.3 174.18 0.21 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.735 175.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -111.1 144.27 40.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.322 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 39.9 m80 59.55 -163.91 0.22 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.507 0.504 . . . . 0.0 111.12 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 19.9 t60 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.546 171.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.814 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 9.5 mptt -91.83 153.4 19.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.712 HD11 HD12 ' A' ' 6' ' ' LEU . 41.9 tp -65.43 -29.84 70.57 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.997 174.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.64 ' HG ' ' HA ' ' A' ' 67' ' ' GLU . 17.5 p -74.19 -15.52 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.405 177.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.814 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 80.0 mt-10 -88.77 -14.75 36.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.926 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.712 HD12 HD11 ' A' ' 3' ' ' LEU . 17.1 mt -62.76 167.0 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.374 0.607 . . . . 0.0 111.818 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -111.31 160.54 16.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.951 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.18 104.38 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.916 0.388 . . . . 0.0 110.418 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.39 -5.75 21.28 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.831 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 146.7 29.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.511 . . . . 0.0 111.569 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -111.81 128.48 56.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.878 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.14 167.0 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 112.383 -175.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.63 ' HB2' HD21 ' A' ' 74' ' ' LEU . 4.5 tp10 -111.56 133.45 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.588 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.695 HG21 HD22 ' A' ' 38' ' ' LEU . 85.3 t -77.32 109.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.111 176.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 p -89.17 -41.31 12.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 110.508 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -154.68 106.26 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.115 0.483 . . . . 0.0 110.655 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.874 HG21 HG12 ' A' ' 69' ' ' ILE . 2.4 p -86.68 109.81 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.252 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.93 140.83 38.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.943 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.67 -176.92 1.33 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.576 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 tp10 -58.88 143.13 83.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.576 ' HD2' ' HG3' ' A' ' 20' ' ' GLU . 4.1 Cg_endo -50.08 -43.42 42.42 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.767 2.311 . . . . 0.0 112.34 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -41.44 85.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.484 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -73.36 -44.46 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.327 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -59.61 -42.67 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.055 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -57.95 -45.5 86.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.474 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.445 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 62.9 ttt180 -65.68 -46.41 79.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.617 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.1 -46.48 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.2 mtp -64.75 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.796 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.89 -30.24 63.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.3 mt -71.79 -44.05 64.63 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.19 -9.69 0.44 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.969 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -79.7 89.53 5.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.375 0.607 . . . . 0.0 109.836 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.87 179.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.901 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -66.11 114.92 5.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.13 37.46 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.252 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.4 114.12 14.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.66 0.266 . . . . 0.0 110.807 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.65 127.23 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 14' ' ' VAL . 2.5 pt? -137.68 156.86 47.56 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.239 0.542 . . . . 0.0 111.278 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -132.38 132.68 43.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.957 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -73.8 116.0 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.911 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD12 HD21 ' A' ' 58' ' ' LEU . 75.2 mt -78.98 -55.48 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.794 -175.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -168.88 163.22 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.435 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -108.26 151.4 26.01 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -67.62 166.02 25.6 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 173.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.1 Cg_endo -59.66 5.28 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 123.295 2.664 . . . . 0.0 114.382 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 44' ' ' ALA . 96.1 mt -133.03 12.63 4.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 4.92 75.01 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.14 -0.552 . . . . 0.0 111.79 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -160.88 132.24 3.94 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.498 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 85.6 Cg_endo -77.45 -168.21 6.69 Favored 'Cis proline' 0 C--O 1.236 0.383 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.604 1.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.479 HD11 ' HG3' ' A' ' 63' ' ' ARG . 46.9 mt -128.31 139.05 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 -176.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -96.67 123.08 40.25 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.37 140.85 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 111.501 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.509 ' HB2' HD23 ' A' ' 41' ' ' LEU . 45.4 t-20 -95.85 101.58 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.477 ' HB3' HD21 ' A' ' 59' ' ' LEU . 47.5 t -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.411 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 58.9 29.7 19.2 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.939 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.02 63.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.682 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.7 mtm -108.94 138.9 44.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.817 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 41' ' ' LEU . 56.7 mt -95.56 104.47 16.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.924 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -127.8 133.16 49.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.55 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 m -104.48 121.61 43.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.921 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.11 175.96 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.165 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.498 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 3.5 mmm180 -89.88 150.59 22.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.415 -174.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HG3' HD11 ' A' ' 50' ' ' ILE . 57.9 ttt-85 -62.99 -32.49 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.053 -175.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.677 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 4.2 mm-40 -73.58 -40.8 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.701 . . . . 0.0 109.253 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 69' ' ' ILE . . . -66.1 -25.24 66.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.802 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.64 ' HA ' ' HG ' ' A' ' 4' ' ' SER . 47.0 mt-10 -61.97 -43.91 97.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.076 177.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.85 -30.54 76.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.331 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.874 HG12 HG21 ' A' ' 17' ' ' VAL . 51.2 mt -74.46 117.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -98.32 123.34 42.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.865 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.7 m -126.1 164.74 25.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.699 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -131.46 126.84 36.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.7 mt -61.2 129.41 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' ' 13' ' ' GLU . 83.8 mt -82.0 84.86 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.945 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.99 179.95 8.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.67 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.93 -161.62 30.9 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.86 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -81.26 99.54 8.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.993 0.425 . . . . 0.0 110.056 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 108.15 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.688 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.83 33.44 0.39 Allowed Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -136.99 153.97 75.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.73 83.5 0.23 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.308 2.005 . . . . 0.0 111.468 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 80.9 t60 57.59 85.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.59 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.72 22.52 33.16 Favored Glycine 0 CA--C 1.517 0.158 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.712 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -112.36 150.88 43.25 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 122.747 -0.267 . . . . 0.0 110.885 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.06 120.22 8.0 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.003 2.469 . . . . 0.0 112.212 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.07 -146.49 18.83 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.036 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.557 ' O ' ' HD2' ' A' ' 88' ' ' ARG . 25.9 p90 -159.63 112.94 2.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.849 0.357 . . . . 0.0 110.465 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.557 ' HD2' ' O ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -128.66 101.56 6.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.358 0.599 . . . . 0.0 111.172 178.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -138.59 81.75 1.87 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -108.71 8.18 26.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.328 -169.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -77.34 71.68 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 0.0 110.773 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -165.86 103.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.154 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -96.5 -45.61 6.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.708 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.92 139.23 5.69 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.309 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -145.1 108.89 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -82.23 125.24 30.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.272 0.558 . . . . 0.0 112.193 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.84 119.67 38.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 171.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.94 94.33 2.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.408 0.623 . . . . 0.0 111.372 -178.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -139.67 79.8 1.74 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.75 0.786 . . . . 0.0 110.67 178.783 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -73.52 -68.03 0.54 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.001 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 63.54 105.09 0.03 OUTLIER 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.985 0.803 . . . . 0.0 111.236 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -117.58 152.83 34.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.97 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -136.81 169.92 16.94 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -140.59 159.49 42.08 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.178 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 20.9 t60 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.529 -0.748 . . . . 0.0 109.68 -176.241 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.887 0.375 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.866 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -84.58 155.08 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -175.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.668 HD11 HD13 ' A' ' 6' ' ' LEU . 36.1 tp -65.7 -31.54 72.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.75 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.443 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 7.1 p -76.34 -14.47 60.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.766 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.866 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 91.6 mt-10 -87.31 -6.67 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.668 HD13 HD11 ' A' ' 3' ' ' LEU . 76.2 mt -72.26 164.69 25.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.73 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -132.62 31.82 3.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.47 136.85 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.59 0.756 . . . . 0.0 112.065 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.06 -7.82 76.21 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.871 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 23.5 m-20 -79.76 134.68 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.177 0.191 . . . . 0.0 110.995 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.14 119.6 39.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' HB3' ' HB ' ' A' ' 71' ' ' VAL . . . -134.54 142.71 47.08 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.455 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.527 ' OE1' ' HE2' ' A' ' 37' ' ' LYS . 35.6 tt0 -91.58 131.79 36.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.273 174.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 86.0 t -79.49 115.28 21.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.127 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 p -97.87 -34.46 10.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.406 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -154.03 146.09 23.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.706 HG11 HG12 ' A' ' 69' ' ' ILE . 41.7 t -125.7 113.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.497 -177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -104.9 118.45 36.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.35 177.39 11.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.365 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.53 141.53 97.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.03 -46.66 15.69 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.385 2.723 . . . . 0.0 113.664 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.69 -39.66 57.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.91 0.386 . . . . 0.0 111.097 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.15 -37.7 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.87 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -57.68 -47.6 81.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.828 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -66.72 -32.34 73.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.513 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 79.1 ttt180 -63.52 -42.88 98.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.104 0.478 . . . . 0.0 109.807 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.16 -45.61 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.169 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.4 mtp -62.38 -44.92 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.838 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.52 -41.12 72.7 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.365 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 93.9 mt -69.01 -37.37 78.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.81 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 0.68 1.0 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.188 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -82.87 90.97 7.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.172 0.511 . . . . 0.0 109.911 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -135.71 -176.56 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.415 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 37.2 ttm180 -68.21 129.51 40.14 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.736 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.31 -14.59 54.72 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.78 132.98 46.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.527 ' HE2' ' OE1' ' A' ' 13' ' ' GLU . 86.3 mttt -123.98 117.52 24.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 -175.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.1 pp -123.14 164.9 17.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.956 -169.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 30.0 ttpt -122.03 128.06 50.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.47 172.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.596 ' HA ' HG12 ' A' ' 52' ' ' VAL . 66.3 t -68.59 118.41 12.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.098 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.84 -61.65 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.632 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -167.12 163.52 15.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.03 0.443 . . . . 0.0 110.397 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -106.59 146.92 30.09 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.669 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.41 165.39 14.47 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.669 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.5 Cg_endo -60.76 5.46 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.097 2.531 . . . . 0.0 114.299 -176.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -134.17 11.4 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.786 0.327 . . . . 0.0 110.692 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.45 -6.81 71.05 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.348 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.92 134.63 9.71 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -80.08 -173.35 12.49 Favored 'Cis proline' 0 C--O 1.237 0.43 0 C-N-CA 123.895 -1.294 . . . . 0.0 113.066 1.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.9 mt -121.49 135.84 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.193 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.779 ' HG2' ' HG1' ' A' ' 60' ' ' THR . 39.5 mt-10 -108.51 124.63 50.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.6 m -134.38 149.53 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.69 101.69 11.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 42.3 t -105.18 109.35 21.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.93 -176.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 61.79 30.61 18.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.551 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -6.68 67.33 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.446 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -99.03 128.69 45.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 0.0 110.488 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.72 109.92 22.13 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -135.03 139.55 44.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 111.453 -176.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.779 ' HG1' ' HG2' ' A' ' 51' ' ' GLU . 29.3 m -110.78 129.13 55.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.148 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.437 ' HE1' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -135.14 176.82 8.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.53 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -84.01 151.88 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -57.67 -29.62 64.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.889 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -54.65 -44.04 72.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.557 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.6 mp0 -72.47 -40.9 66.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.779 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 4' ' ' SER . . . -62.98 -31.51 72.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.45 -177.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 27.1 mm-40 -62.04 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.202 0.525 . . . . 0.0 110.381 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.574 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.52 -34.17 83.52 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.927 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.706 HG12 HG11 ' A' ' 17' ' ' VAL . 57.7 mt -74.09 123.17 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.113 0.483 . . . . 0.0 111.026 -176.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -100.66 122.03 42.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.584 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.443 HG12 HD13 ' A' ' 3' ' ' LEU . 26.8 m -122.01 161.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -176.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -127.2 117.29 22.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.45 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.66 127.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.939 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.8 mt -82.76 59.98 5.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 110.89 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -179.28 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.675 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.37 149.25 19.21 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.12 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.419 ' CG ' ' H ' ' A' ' 78' ' ' GLU . 4.6 t70 62.92 -159.05 0.32 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.25 0.62 . . . . 0.0 110.678 176.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.419 ' H ' ' CG ' ' A' ' 77' ' ' ASP . 23.5 mm-40 -86.45 129.61 34.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.653 0.263 . . . . 0.0 110.497 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.97 165.93 21.09 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.92 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -94.57 155.43 39.55 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -47.74 -55.3 4.11 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.65 2.9 . . . . 0.0 113.369 -175.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -102.37 83.98 2.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.099 0.476 . . . . 0.0 110.535 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.05 -77.17 0.88 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 8.3 m95 71.02 150.32 0.13 Allowed Pre-proline 0 N--CA 1.461 0.081 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.01 -20.3 25.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.614 2.209 . . . . 0.0 112.071 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.31 -112.13 3.5 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.983 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -113.32 136.04 53.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.835 0.35 . . . . 0.0 110.406 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -101.23 106.32 17.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.298 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -108.33 103.95 13.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -149.89 100.5 2.95 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.799 -171.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -158.46 127.97 5.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.31 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -167.15 -18.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -79.67 103.14 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.487 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -138.42 44.05 1.14 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -105.4 93.14 4.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.738 0.304 . . . . 0.0 110.185 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.92 126.23 34.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.66 119.24 12.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.47 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD13 ' HE2' ' A' ' 100' ' ' HIS . 1.8 pt? -153.53 110.16 3.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.624 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -92.15 134.33 34.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.668 -176.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.585 ' HE2' HD13 ' A' ' 98' ' ' LEU . 78.1 m-70 -125.79 111.18 14.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.883 0.373 . . . . 0.0 111.007 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 44.2 t-80 -142.24 169.21 18.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 176.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 101' ' ' HIS . 89.5 m-70 68.68 89.03 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.814 0.696 . . . . 0.0 110.626 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -146.05 85.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.138 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 44.48 80.6 0.04 OUTLIER 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.175 0.922 . . . . 0.0 112.425 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.191 178.645 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.623 ' HE3' HD23 ' A' ' 6' ' ' LEU . 26.8 ttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.944 0.402 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -91.79 157.61 16.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -171.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.583 HD12 HD11 ' A' ' 6' ' ' LEU . 27.8 tp -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.61 0.719 . . . . 0.0 109.2 169.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 4.7 t -74.71 -12.52 60.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.072 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 51.6 tt0 -99.33 0.34 42.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.936 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.623 HD23 ' HE3' ' A' ' 1' ' ' MET . 71.7 mt -79.45 172.02 14.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 176.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -115.51 159.18 21.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.327 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 102.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 110.286 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.4 -12.31 7.97 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.724 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.92 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.098 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -130.24 127.93 40.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.632 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.68 165.76 30.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.692 0.282 . . . . 0.0 111.283 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -107.84 145.87 33.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.592 HG11 HG23 ' A' ' 17' ' ' VAL . 74.2 t -81.11 119.34 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.949 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.9 p -92.06 -30.98 15.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -154.58 136.67 14.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.766 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.592 HG23 HG11 ' A' ' 14' ' ' VAL . 20.6 t -111.11 108.72 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.506 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.28 117.73 34.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 110.158 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.91 172.49 13.91 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 4.2 tm-20 -61.18 140.79 94.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 2.1 Cg_endo -49.39 -40.14 44.3 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.886 2.39 . . . . 0.0 113.022 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.42 82.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.046 0.451 . . . . 0.0 110.797 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.634 HG11 ' HG3' ' A' ' 65' ' ' GLU . 84.8 t -69.47 -40.28 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.133 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.35 -47.16 82.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.993 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -58.03 -43.47 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -65.79 -38.45 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.964 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -69.77 -44.07 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.904 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.6 mtp -62.25 -32.99 73.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.836 175.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -89.05 15.88 7.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.875 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.83 12.41 83.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.052 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tt -87.95 87.92 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.329 0.585 . . . . 0.0 109.543 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.33 -173.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.324 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -70.15 118.11 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.018 0.437 . . . . 0.0 110.36 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.95 -4.06 52.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.903 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.59 119.76 16.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.155 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -98.86 122.45 42.11 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.9 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD12 ' HB ' ' A' ' 52' ' ' VAL . 2.4 pt? -133.78 155.08 50.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.35 0.595 . . . . 0.0 111.388 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -114.27 127.47 55.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.891 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.66 110.72 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD13 ' HB2' ' A' ' 53' ' ' ASN . 86.0 mt -79.92 -62.02 1.81 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.939 -174.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -154.67 150.04 27.22 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.064 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -101.26 148.39 25.17 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.561 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -63.56 161.28 36.46 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 23.4 Cg_endo -60.95 5.56 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.992 2.461 . . . . 0.0 113.918 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' A' ' 44' ' ' ALA . 64.8 mt -131.69 12.14 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.759 0.314 . . . . 0.0 110.38 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.38 -14.07 52.29 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.405 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.63 138.11 12.46 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -81.01 -169.91 8.05 Favored 'Cis proline' 0 C--O 1.235 0.372 0 C-N-CA 124.016 -1.243 . . . . 0.0 112.896 -0.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.725 HD13 ' HG3' ' A' ' 63' ' ' ARG . 43.3 mt -121.28 138.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.293 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.542 ' HG2' ' HG1' ' A' ' 60' ' ' THR . 37.8 mt-10 -105.75 114.04 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.066 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 38' ' ' LEU . 21.8 m -120.76 144.26 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.167 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.421 ' HB2' HD13 ' A' ' 41' ' ' LEU . 39.7 t30 -101.84 100.86 11.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.524 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.03 119.44 38.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.88 27.98 16.9 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.045 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.29 16.22 59.35 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 mtm -123.46 132.4 53.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.87 102.14 13.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.201 0.524 . . . . 0.0 110.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.33 126.67 54.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.068 -177.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.542 ' HG1' ' HG2' ' A' ' 51' ' ' GLU . 27.4 m -101.41 121.24 41.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.684 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -139.39 169.88 16.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.574 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -75.29 147.01 40.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 110.955 -174.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.725 ' HG3' HD13 ' A' ' 50' ' ' ILE . 64.4 ttt180 -65.28 -30.59 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.715 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -60.01 -40.65 89.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.634 ' HG3' HG11 ' A' ' 23' ' ' VAL . 11.9 mm-40 -75.68 -31.09 59.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.389 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 4' ' ' SER . . . -61.73 -26.71 68.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.297 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -64.34 -44.71 90.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.616 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.11 -26.59 72.47 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.172 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.525 HG12 HG13 ' A' ' 17' ' ' VAL . 50.1 mt -74.84 115.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.187 0.517 . . . . 0.0 110.399 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -94.74 133.4 38.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.596 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 6' ' ' LEU . 27.4 m -129.13 167.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.635 0.731 . . . . 0.0 112.214 -174.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -133.47 120.37 20.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.185 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.97 126.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 111.48 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt -99.23 65.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.572 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.65 97.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.302 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.94 120.16 0.9 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.451 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -88.06 162.28 16.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 64.77 93.1 0.06 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.753 0.658 . . . . 0.0 111.402 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 158.45 -45.89 0.46 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.067 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 63.55 85.38 0.17 Allowed Pre-proline 0 N--CA 1.465 0.292 0 CA-C-O 121.057 0.456 . . . . 0.0 110.139 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.09 146.8 83.01 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.979 2.453 . . . . 0.0 112.602 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -90.1 102.14 14.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.813 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.17 -164.54 30.29 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.26 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.28 143.94 20.22 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -67.02 -28.05 41.91 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.506 2.137 . . . . 0.0 111.993 177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.53 -156.59 32.02 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.691 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -129.97 161.03 31.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.819 0.343 . . . . 0.0 110.546 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -120.99 129.0 53.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.877 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -61.32 132.98 55.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -82.43 96.46 7.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.96 0.409 . . . . 0.0 110.085 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -74.28 134.11 42.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.611 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -73.22 145.37 46.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.758 0.313 . . . . 0.0 110.534 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -112.41 121.16 44.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.499 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.13 148.33 18.76 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.49 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -99.13 156.5 16.92 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -94.54 153.09 18.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.689 0.28 . . . . 0.0 110.472 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.55 160.3 14.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.607 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.6 mt -83.35 155.42 23.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.921 0.391 . . . . 0.0 110.592 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.49 124.57 32.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.637 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -108.34 155.28 20.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.571 ' CD2' ' H ' ' A' ' 102' ' ' HIS . 2.9 t60 68.3 -172.46 0.19 Allowed 'General case' 0 CA--C 1.538 0.505 0 O-C-N 123.953 0.783 . . . . 0.0 110.536 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.571 ' H ' ' CD2' ' A' ' 101' ' ' HIS . 72.6 m80 67.5 21.19 9.64 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.05 0.54 . . . . 0.0 111.229 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.422 ' CD2' ' HD2' ' A' ' 104' ' ' HIS . 63.2 t60 -111.94 103.62 11.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.422 ' HD2' ' CD2' ' A' ' 103' ' ' HIS . 92.2 m-70 63.31 -166.73 0.22 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.49 -174.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.77 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HE2' HD11 ' A' ' 73' ' ' ILE . 15.9 tpt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.664 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -92.87 157.48 16.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.097 0.475 . . . . 0.0 112.172 -176.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.734 HD13 HD11 ' A' ' 6' ' ' LEU . 29.3 tp -66.28 -34.83 78.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.034 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.551 ' OG ' ' HB2' ' A' ' 66' ' ' ALA . 55.4 m -74.89 -13.46 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.639 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.664 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 59.3 mt-10 -88.11 -3.93 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.091 0.472 . . . . 0.0 110.442 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.734 HD11 HD13 ' A' ' 3' ' ' LEU . 76.4 mt -79.1 178.1 8.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.76 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -123.68 159.76 28.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.328 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.31 109.77 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.461 . . . . 0.0 110.147 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.3 -21.67 6.8 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.699 -175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -79.34 142.44 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 111.154 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.564 ' HB3' HD11 ' A' ' 74' ' ' LEU . 80.0 mtm180 -108.6 147.39 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.206 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.454 ' HB2' ' HB ' ' A' ' 71' ' ' VAL . . . -149.27 161.43 42.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.896 0.379 . . . . 0.0 111.565 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' HB2' HD23 ' A' ' 74' ' ' LEU . 39.1 tt0 -113.03 125.31 54.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.95 121.95 20.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.729 0.299 . . . . 0.0 111.015 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 p -98.1 -36.52 10.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -158.84 137.14 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.864 HG21 HG12 ' A' ' 69' ' ' ILE . 6.1 p -117.08 135.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.532 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -133.85 114.5 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.143 0.496 . . . . 0.0 110.711 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.426 ' HB3' ' OE2' ' A' ' 65' ' ' GLU . . . -154.35 -178.75 7.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.58 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.46 143.87 95.79 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.43 -48.81 18.6 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.894 2.396 . . . . 0.0 112.673 -174.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.53 83.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.52 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.748 HG11 ' HG3' ' A' ' 65' ' ' GLU . 74.3 t -75.42 -39.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.152 0.501 . . . . 0.0 110.174 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.36 -48.29 82.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.11 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.79 -37.32 84.32 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.605 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.575 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 70.9 mtt85 -55.69 -43.34 76.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.354 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.45 -41.46 89.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.0 mtp -65.69 -37.66 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.25 -33.01 63.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 80.5 mt -66.97 -41.02 87.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.99 18.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.892 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -104.02 93.5 4.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.155 0.502 . . . . 0.0 109.951 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.56 -173.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.566 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -71.31 127.94 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.81 -0.77 67.63 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.862 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.03 127.76 33.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 110.386 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' HD12 ' A' ' 74' ' ' LEU . 91.5 mttt -102.03 127.09 49.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.854 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD12 ' HB ' ' A' ' 52' ' ' VAL . 2.1 pt? -138.6 154.46 48.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -176.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -112.97 130.1 56.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.422 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.605 ' HA ' HG13 ' A' ' 52' ' ' VAL . 58.4 t -70.8 116.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 53' ' ' ASN . 85.8 mt -86.51 -65.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.29 -174.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -149.78 156.36 41.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 110.844 -175.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.88 147.75 28.37 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 172.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.598 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -67.6 165.35 30.94 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.598 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 16.7 Cg_endo -58.27 5.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.222 2.615 . . . . 0.0 114.182 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.4 mt -132.8 7.32 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.906 0.384 . . . . 0.0 110.373 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.45 2.85 69.53 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.72 127.69 3.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.76 -171.92 10.47 Favored 'Cis proline' 0 CA--C 1.534 0.493 0 C-N-CA 124.241 -1.149 . . . . 0.0 113.836 2.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -124.19 139.55 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.85 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -106.26 122.46 46.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.605 HG13 ' HA ' ' A' ' 40' ' ' VAL . 19.5 m -128.84 142.03 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.818 0.342 . . . . 0.0 111.068 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.558 ' HB2' HD13 ' A' ' 41' ' ' LEU . 54.3 t-20 -97.11 103.36 15.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -111.04 116.46 31.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.77 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 60.87 25.33 15.26 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.06 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.16 62.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.428 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 mtm -115.64 126.58 54.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.797 0.332 . . . . 0.0 110.215 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 58' ' ' LEU . 6.6 mp -84.06 113.49 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.884 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 30' ' ' LEU . 1.1 mt -112.8 135.38 53.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.558 -175.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.3 m -112.63 126.31 55.23 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.71 ' HE2' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -147.52 167.83 23.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.344 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -77.9 143.7 37.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -173.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 3.9 ttt85 -57.41 -36.75 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.406 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.589 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 2.0 p-10 -58.42 -32.65 68.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.748 ' HG3' HG11 ' A' ' 23' ' ' VAL . 4.3 mm-40 -76.07 -36.29 59.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.274 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.71 ' HB3' ' HE2' ' A' ' 61' ' ' MET . . . -62.99 -31.35 72.46 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 176.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.589 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 47.9 mt-10 -65.34 -35.58 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.089 0.471 . . . . 0.0 110.118 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.559 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.72 -20.28 73.99 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.786 173.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.864 HG12 HG21 ' A' ' 17' ' ' VAL . 70.7 mt -87.37 127.43 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.344 0.592 . . . . 0.0 111.459 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -103.63 124.17 48.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.573 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 30.2 m -127.79 159.3 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 0.0 111.506 -176.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -116.83 119.47 35.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.476 HD11 ' HE2' ' A' ' 1' ' ' MET . 47.5 mt -60.24 136.83 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.594 -174.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 11' ' ' ARG . 86.6 mt -78.92 72.92 5.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.032 177.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -175.01 -174.08 0.74 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.089 -178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 124.38 120.45 2.5 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.069 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.51 129.68 36.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.115 0.483 . . . . 0.0 110.696 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.78 -24.96 67.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.882 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.49 -1.42 90.11 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.791 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -120.76 86.09 40.32 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 116.794 0.297 . . . . 0.0 110.754 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.38 92.14 0.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.014 2.476 . . . . 0.0 112.02 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -117.1 102.89 9.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.442 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.28 162.37 18.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.735 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.59 143.28 28.9 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.852 0.326 . . . . 0.0 110.211 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.83 -168.24 0.53 Allowed 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.962 2.441 . . . . 0.0 112.937 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 172.23 143.73 4.24 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.113 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -123.17 -69.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 61.07 36.52 18.36 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.054 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -79.28 96.96 6.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -84.64 135.24 34.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.635 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -62.21 150.57 38.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.09 0.472 . . . . 0.0 111.142 -176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -116.98 -164.39 0.98 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.755 -175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.0 t80 65.96 86.86 0.13 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.743 0.652 . . . . 0.0 110.082 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -133.53 158.9 23.45 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.686 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.532 ' O ' ' HD2' ' A' ' 96' ' ' ARG . 62.9 mttp -76.17 132.7 40.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.093 0.473 . . . . 0.0 111.217 -175.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 95' ' ' LYS . 3.3 mpt_? -127.33 118.37 24.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.208 172.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.94 20.1 3.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.016 0.436 . . . . 0.0 110.535 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.69 105.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.529 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -111.35 88.63 2.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.12 0.486 . . . . 0.0 110.672 -176.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -119.45 166.13 13.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.536 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 65.99 71.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.824 0.703 . . . . 0.0 110.952 -175.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -90.01 7.36 38.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.318 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.4 m80 70.39 -173.51 0.18 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.621 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 65.82 36.16 6.29 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 62.5 m80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.692 -176.51 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.711 0.291 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.656 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 2.4 mppt? -94.27 159.75 14.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.886 0.374 . . . . 0.0 111.473 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.723 HD12 HD11 ' A' ' 6' ' ' LEU . 54.9 tp -65.43 -30.86 71.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.836 174.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.2 p -76.57 -11.14 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.116 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.656 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -90.2 -10.47 44.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.158 0.504 . . . . 0.0 109.838 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.723 HD11 HD12 ' A' ' 3' ' ' LEU . 74.6 mt -75.77 172.01 13.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.908 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -122.76 169.87 10.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.96 111.82 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.073 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.18 -14.3 33.62 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.373 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.409 ' HA ' HH21 ' A' ' 11' ' ' ARG . 2.3 m-20 -74.57 132.4 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.142 0.496 . . . . 0.0 111.086 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.79 138.19 40.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.586 -178.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.88 162.88 40.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.096 0.474 . . . . 0.0 111.795 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.708 ' HB2' HD22 ' A' ' 74' ' ' LEU . 41.2 tt0 -111.45 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.256 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.683 ' HA ' HG13 ' A' ' 71' ' ' VAL . 66.5 t -76.41 113.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.288 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.499 HG23 ' CE1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -90.07 -26.45 20.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.172 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -165.77 154.03 11.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.682 HG13 HG12 ' A' ' 69' ' ' ILE . 50.0 t -126.86 109.97 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.018 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.42 102.52 14.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 177.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.48 174.54 14.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.386 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.603 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.0 tm-20 -57.65 141.99 78.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.962 0.788 . . . . 0.0 108.986 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.603 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 3.2 Cg_exo -44.35 -51.12 7.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.302 2.668 . . . . 0.0 113.169 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.476 ' HB1' ' OE1' ' A' ' 20' ' ' GLU . . . -69.9 -44.13 70.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.453 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 79.1 t -63.89 -42.67 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.201 0.524 . . . . 0.0 110.236 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -61.17 -52.13 66.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.889 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -72.1 -25.88 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.4 ttt-85 -64.67 -46.52 82.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 92.3 mt -62.6 -41.65 99.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.629 ' HB3' HG12 ' A' ' 33' ' ' VAL . 47.4 mtm -63.0 -37.96 89.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.23 -33.45 76.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.757 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.86 -33.65 68.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.439 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.18 -3.31 1.45 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.812 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' A' ' 28' ' ' MET . 3.2 tt -94.56 83.84 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 0.0 109.967 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.629 HG12 ' HB3' ' A' ' 28' ' ' MET . 33.2 m -109.65 178.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.263 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -72.44 115.19 11.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 0.58 37.12 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.886 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.86 146.0 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.3 . . . . 0.0 110.726 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -114.83 127.7 55.87 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -142.54 169.71 17.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.662 0.744 . . . . 0.0 112.799 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HG3' ' HG3' ' A' ' 11' ' ' ARG . 35.9 ttpt -130.84 132.42 45.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.236 172.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.703 ' HA ' HG11 ' A' ' 52' ' ' VAL . 60.1 t -69.61 119.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.5 mt -81.16 -64.43 1.19 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.531 -177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -151.33 152.31 32.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.457 0.646 . . . . 0.0 111.117 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -107.21 131.13 54.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 168.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -57.33 159.08 9.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 123.169 0.293 . . . . 0.0 110.23 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 25.0 Cg_endo -60.94 6.55 0.12 Allowed 'Trans proline' 0 N--CA 1.479 0.627 0 C-N-CA 123.374 2.716 . . . . 0.0 113.83 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 44' ' ' ALA . 80.0 mt -132.28 13.65 4.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.909 0.385 . . . . 0.0 110.102 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.61 14.29 72.25 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.463 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -174.63 132.83 0.5 Allowed Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.86 -175.43 16.38 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.567 -1.43 . . . . 0.0 113.144 1.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.7 mt -120.69 135.12 61.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -111.12 124.78 52.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.43 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.703 HG11 ' HA ' ' A' ' 40' ' ' VAL . 28.7 m -132.2 146.51 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.745 0.307 . . . . 0.0 111.039 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -97.87 104.33 16.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 49.1 t -108.82 110.49 21.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.944 -175.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.89 28.94 16.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.81 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.91 -4.56 65.72 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.926 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -106.41 123.29 47.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.833 0.349 . . . . 0.0 110.065 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.21 107.87 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mt -105.74 150.91 25.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.65 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.7 m -133.87 120.41 20.39 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.626 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.51 178.85 6.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.933 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -89.18 158.92 17.72 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.087 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -52.88 -40.67 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.531 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 3.5 p-10 -64.33 -30.61 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 -177.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' HG13 ' A' ' 69' ' ' ILE . 65.0 mm-40 -71.28 -39.49 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.413 . . . . 0.0 109.996 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.17 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.929 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 49.7 mt-10 -65.56 -38.12 88.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 174.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.6 -36.28 87.73 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.556 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 17' ' ' VAL . 52.8 mt -74.71 120.37 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.164 0.507 . . . . 0.0 111.215 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -100.93 128.9 46.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.455 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.683 HG13 ' HA ' ' A' ' 14' ' ' VAL . 33.2 m -136.17 160.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 0.0 111.229 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.499 ' CE1' HG23 ' A' ' 15' ' ' THR . 22.9 p-80 -120.51 130.93 54.47 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 171.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.64 133.2 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 111.696 -174.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.708 HD22 ' HB2' ' A' ' 13' ' ' GLU . 93.6 mt -77.51 78.21 4.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -166.96 -23.84 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.406 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.45 119.79 2.74 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.894 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.619 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 20.9 t70 -118.06 151.85 36.71 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -84.95 -2.12 57.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -173.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.03 82.23 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 119.997 -1.096 . . . . 0.0 112.929 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.619 ' CD2' ' HB3' ' A' ' 77' ' ' ASP . 5.9 p80 -121.05 85.36 40.82 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 121.421 0.629 . . . . 0.0 110.155 176.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -93.12 107.42 0.18 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 123.177 2.585 . . . . 0.0 112.514 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -82.42 90.78 6.75 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -135.87 75.06 0.41 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.265 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -100.56 144.46 28.52 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.215 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 22.5 Cg_exo -66.76 -164.63 0.09 OUTLIER 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.884 2.39 . . . . 0.0 112.49 175.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -136.35 146.7 18.68 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -84.17 118.37 24.09 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -103.69 148.44 26.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.254 0.55 . . . . 0.0 111.269 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.08 -176.79 4.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.897 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -87.96 169.45 11.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.937 0.399 . . . . 0.0 110.743 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -94.74 31.68 1.77 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.737 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 69.4 -69.47 0.16 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.967 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.7 t80 57.6 76.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.69 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.64 160.26 28.26 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -110.65 -60.24 1.84 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.021 0.41 . . . . 0.0 110.982 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 59.05 79.84 0.21 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.046 -174.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.82 143.05 26.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.985 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.3 mp -128.14 128.84 45.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.777 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -88.13 175.49 7.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.548 178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -145.07 126.82 15.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.11 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -77.92 162.76 26.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.1 t60 67.41 98.72 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.776 0.672 . . . . 0.0 110.4 -174.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -142.72 162.8 34.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.673 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 66.09 93.16 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.951 0.782 . . . . 0.0 110.971 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.7 t60 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.779 177.646 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HE2' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.737 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 4.4 mptp? -76.41 151.03 36.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.052 0.454 . . . . 0.0 111.597 -173.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD22 ' HE1' ' A' ' 61' ' ' MET . 16.9 tp -65.67 -30.16 70.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.417 173.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.1 t -69.3 -22.69 63.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.979 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.737 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 53.4 mt-10 -89.77 -2.91 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.383 . . . . 0.0 111.169 -177.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD12 HG23 ' A' ' 71' ' ' VAL . 34.0 mt -76.33 165.83 24.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 34.8 mtmt -119.05 161.12 20.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.802 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.34 118.02 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 0.0 110.64 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.11 -12.21 52.19 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.431 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.509 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 1.1 m-20 -79.97 141.6 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HG2' HD13 ' A' ' 74' ' ' LEU . 51.9 ttt180 -124.55 131.09 53.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.32 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB1' HD12 ' A' ' 73' ' ' ILE . . . -141.87 176.48 8.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.554 ' HB2' HD22 ' A' ' 74' ' ' LEU . 34.0 tt0 -121.37 133.66 55.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.765 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG21 HD23 ' A' ' 38' ' ' LEU . 58.0 t -72.27 112.14 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -89.73 -37.64 14.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 m -154.65 116.87 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.17 0.51 . . . . 0.0 110.773 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.859 HG23 HG12 ' A' ' 69' ' ' ILE . 2.4 p -97.22 109.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.28 0.562 . . . . 0.0 110.28 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.63 172.3 17.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.466 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 149.03 98.7 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.434 0.459 . . . . 0.0 109.948 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -46.5 -43.29 22.55 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.825 3.016 . . . . 0.0 113.853 -172.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.43 -49.08 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.146 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.79 -39.49 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 110.597 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 28' ' ' MET . 24.0 ttm180 -57.5 -51.89 67.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.785 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.719 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 99.4 mtt180 -69.77 -35.54 75.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.153 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -41.67 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 89.6 mtp -57.95 -42.44 84.97 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.67 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.09 -31.73 70.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.835 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.84 6.22 25.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.809 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.87 -2.92 55.69 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.067 175.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tt -88.32 85.82 6.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.436 0.636 . . . . 0.0 109.449 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.1 -177.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.119 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -72.08 120.36 17.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.98 0.39 56.17 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.887 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -76.47 126.34 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.774 0.321 . . . . 0.0 111.206 178.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -93.12 128.32 39.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.856 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 HD23 HG21 ' A' ' 14' ' ' VAL . 2.3 pt? -139.3 147.63 41.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.437 . . . . 0.0 111.044 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -115.6 132.01 56.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.406 174.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.704 ' HA ' HG13 ' A' ' 52' ' ' VAL . 62.1 t -70.73 119.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.6 mt -89.52 -64.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.291 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -151.71 160.46 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.145 -173.106 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -117.16 154.49 30.99 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -75.57 163.17 69.13 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 172.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.32 5.66 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.99 2.46 . . . . 0.0 113.517 -176.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 44' ' ' ALA . 87.0 mt -132.8 14.07 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.781 0.324 . . . . 0.0 110.591 -177.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.11 2.09 81.86 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.626 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -161.62 135.8 5.09 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.51 179.21 29.64 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.548 -1.438 . . . . 0.0 113.312 1.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 54.9 mt -115.3 139.03 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.48 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.4 126.77 55.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.781 0.324 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.704 HG13 ' HA ' ' A' ' 40' ' ' VAL . 29.7 m -132.44 156.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -177.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -106.22 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.487 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 51.0 t -113.67 123.89 50.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.41 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 62.65 20.34 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.112 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.75 16.01 60.57 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.716 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.446 ' O ' HD23 ' A' ' 59' ' ' LEU . 33.0 ttm -117.1 129.46 56.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.42 102.43 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.082 0.468 . . . . 0.0 109.962 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -119.82 149.5 41.96 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.038 -174.498 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.4 m -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.25 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.642 ' HE1' HD11 ' A' ' 69' ' ' ILE . 9.5 ptm -138.78 171.47 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -177.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.444 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 9.3 mmt180 -95.49 149.84 20.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -172.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 23.0 ttt180 -61.83 -41.9 98.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.436 177.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -60.44 -31.46 70.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.389 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.527 ' O ' HG13 ' A' ' 69' ' ' ILE . 56.0 mm-40 -75.34 -38.39 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 109.693 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.86 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.526 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 23.3 mm-40 -62.5 -47.32 84.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 109.635 173.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.49 -31.26 78.24 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.541 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.859 HG12 HG23 ' A' ' 17' ' ' VAL . 63.4 mt -75.91 119.68 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.297 0.57 . . . . 0.0 111.224 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -103.97 125.58 50.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.713 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.588 HG23 HD12 ' A' ' 6' ' ' LEU . 29.9 m -116.81 157.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.266 -175.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -118.49 123.94 46.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.868 175.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.536 HD12 ' HB1' ' A' ' 12' ' ' ALA . 27.0 mm -64.12 130.9 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.118 0.485 . . . . 0.0 112.12 -173.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 13' ' ' GLU . 94.9 mt -78.82 76.03 5.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.08 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.76 -178.08 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.22 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 78' ' ' GLU . . . 98.2 -34.55 5.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.409 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 71.33 -18.03 0.3 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 76' ' ' GLY . 51.9 mt-10 -67.24 -31.99 72.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.893 0.378 . . . . 0.0 110.513 175.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.5 -109.95 3.38 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.667 176.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.3 m80 65.39 85.83 0.15 Allowed Pre-proline 0 C--O 1.233 0.225 0 O-C-N 124.098 0.528 . . . . 0.0 110.921 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.63 129.24 28.56 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.733 2.288 . . . . 0.0 111.835 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -76.52 85.85 3.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.6 -170.65 13.38 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -176.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.563 ' CD2' ' HD2' ' A' ' 85' ' ' PRO . 74.1 t-105 -105.36 141.46 22.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.855 0.328 . . . . 0.0 110.189 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.563 ' HD2' ' CD2' ' A' ' 84' ' ' TRP . 74.2 Cg_endo -77.99 143.36 20.45 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.809 2.339 . . . . 0.0 112.3 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.63 50.31 0.27 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.441 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -132.47 103.74 6.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.053 0.454 . . . . 0.0 110.069 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -154.07 128.74 9.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.384 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -151.96 94.26 1.94 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.612 0.72 . . . . 0.0 111.568 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.453 ' C ' ' HD3' ' A' ' 90' ' ' ARG . 1.7 tmt_? -122.69 91.23 3.45 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -121.37 93.59 4.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.151 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -155.68 82.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -104.11 135.02 46.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.258 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -117.3 -76.56 0.58 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.458 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.52 138.69 39.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.382 0.61 . . . . 0.0 111.841 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -150.63 -13.14 0.24 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.394 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.74 97.74 11.06 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.4 mt -99.92 17.47 20.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.842 -172.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 67.53 -177.05 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.727 0.642 . . . . 0.0 110.843 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -122.37 71.73 1.03 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -99.42 103.34 15.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.75 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -154.03 101.6 2.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.921 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -143.36 130.4 20.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.073 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -164.01 141.92 7.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.056 0.455 . . . . 0.0 110.435 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.2 p80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.486 176.565 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.904 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.3 mptt -76.15 152.91 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.976 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 6' ' ' LEU . 37.6 tp -65.39 -29.62 70.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.398 173.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.515 ' HG ' ' HA ' ' A' ' 67' ' ' GLU . 15.1 p -78.31 -8.1 58.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.629 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.904 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 43.8 mt-10 -92.31 -8.75 44.24 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.567 HD13 HD11 ' A' ' 3' ' ' LEU . 75.8 mt -69.06 163.75 24.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.26 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.467 ' HG3' ' OD2' ' A' ' 10' ' ' ASP . 2.5 pptp? -130.55 32.96 4.34 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -170.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.489 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 68.67 135.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.467 0.651 . . . . 0.0 112.129 175.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 7.22 84.38 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.467 ' OD2' ' HG3' ' A' ' 7' ' ' LYS . 66.1 m-20 -102.23 132.58 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.073 -0.563 . . . . 0.0 110.355 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 11' ' ' ARG . 65.3 mtt-85 -107.6 121.42 44.62 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.06 166.24 23.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.885 -174.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.12 132.38 56.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.644 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.581 ' HA ' HG11 ' A' ' 71' ' ' VAL . 91.6 t -74.68 116.46 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -35.22 14.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 p -160.94 142.15 11.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.769 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.62 HG12 HG12 ' A' ' 69' ' ' ILE . 45.6 t -114.16 109.48 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.415 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.49 103.6 15.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.015 0.436 . . . . 0.0 110.35 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.86 179.7 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.256 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.57 144.38 89.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.63 -45.13 43.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.867 2.378 . . . . 0.0 112.477 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.77 92.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.52 -43.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 24' ' ' ARG . 37.1 ttm180 -56.5 -50.01 73.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.423 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -66.61 -35.83 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.476 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -59.74 -42.64 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.484 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 94.0 mt -66.65 -38.63 87.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.297 177.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.451 ' HG2' HG11 ' A' ' 33' ' ' VAL . 89.2 mtp -63.99 -40.01 95.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -33.29 75.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.317 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.94 -42.52 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.869 0.366 . . . . 0.0 110.495 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 5.33 0.62 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.3 tt -97.75 96.0 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.451 HG11 ' HG2' ' A' ' 28' ' ' MET . 35.7 m -128.97 172.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.236 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -67.98 118.1 10.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.16 -3.75 48.02 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.753 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.5 135.32 39.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.275 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -105.72 126.25 51.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD21 ' H ' ' A' ' 38' ' ' LEU . 2.3 pt? -133.65 157.99 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.146 0.498 . . . . 0.0 111.889 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -116.75 119.74 36.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.098 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HA ' HG12 ' A' ' 52' ' ' VAL . 77.9 t -70.62 117.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -90.84 -61.53 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -148.34 159.68 43.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.85 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -118.86 140.14 50.46 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 171.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -65.58 158.26 74.74 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 18.0 Cg_endo -59.95 6.69 0.1 OUTLIER 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 123.635 2.89 . . . . 0.0 113.946 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 44' ' ' ALA . 91.1 mt -131.75 13.16 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.87 8.99 78.94 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.213 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.91 133.3 1.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.58 -175.48 16.56 Favored 'Cis proline' 0 C--O 1.237 0.441 0 C-N-CA 123.436 -1.485 . . . . 0.0 113.13 0.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.84 134.43 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.31 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -98.48 114.47 26.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.858 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.7 m -130.13 136.73 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 0.0 111.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -88.85 101.41 14.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.3 t -108.98 112.32 24.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.645 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 62.59 29.66 16.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.885 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.35 -19.63 53.96 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 113.252 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.36 132.73 42.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.001 0.4 . . . . 0.0 111.201 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.25 105.46 6.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mt -106.46 131.62 53.43 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -108.99 119.81 40.68 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.455 ' HE3' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -135.44 169.44 17.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.116 179.147 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 62' ' ' ARG . 4.9 mmm180 -88.66 156.81 18.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.62 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 48.2 ttt-85 -54.59 -37.22 65.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.181 177.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.523 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 1.8 m-20 -54.49 -43.68 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.422 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.581 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.5 mt-10 -73.25 -39.24 65.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.268 -176.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 4' ' ' SER . . . -66.2 -26.17 67.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.357 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.523 ' OE2' ' HA ' ' A' ' 64' ' ' ASN . 41.6 mt-10 -62.77 -45.66 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.461 . . . . 0.0 110.491 173.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.52 -35.57 90.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.01 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.62 HG12 HG12 ' A' ' 17' ' ' VAL . 38.5 mt -74.59 123.56 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 111.21 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -103.77 128.28 51.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.448 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' ' 14' ' ' VAL . 28.9 m -133.04 166.12 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -129.03 134.17 48.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.23 129.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.62 87.16 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.016 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.31 46.07 0.81 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.017 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.02 -51.54 56.22 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -143.2 142.35 31.39 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 64.4 91.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.954 0.784 . . . . 0.0 110.304 -175.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.66 71.65 0.25 Allowed Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.839 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -70.43 153.01 95.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.75 -21.87 57.84 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.29 1.993 . . . . 0.0 111.682 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.3 m170 56.81 32.08 20.7 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.033 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.17 -133.31 2.91 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 65.3 t-105 -151.45 142.01 14.92 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 2.8 Cg_exo -77.61 118.65 4.61 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.192 2.595 . . . . 0.0 112.545 178.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.44 -177.64 37.16 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.61 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -113.4 -57.72 2.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.576 0.188 . . . . 0.0 110.845 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 70.1 114.83 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.773 0.671 . . . . 0.0 112.054 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -95.02 173.92 7.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.93 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 56.4 37.59 28.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.386 0.612 . . . . 0.0 109.795 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -79.39 86.84 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.956 -173.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -145.26 116.92 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.975 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -82.7 104.38 12.91 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.76 164.69 52.03 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.633 -0.712 . . . . 0.0 114.109 -171.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -127.44 138.11 52.88 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -63.1 145.67 54.95 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.19 109.93 1.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.012 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -109.1 111.57 23.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.862 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -104.93 120.17 40.79 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -58.51 145.91 37.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.103 -168.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -72.88 167.96 19.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.483 -175.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -88.53 149.92 23.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.771 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -133.79 166.56 22.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.995 177.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -78.0 126.01 30.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.01 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.7 m80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.336 179.56 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.827 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 1.2 mptm? -86.25 153.21 22.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.859 0.361 . . . . 0.0 110.372 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.611 HD23 HD11 ' A' ' 69' ' ' ILE . 17.4 tp -65.53 -31.85 73.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.98 173.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.413 ' HB3' ' HB1' ' A' ' 66' ' ' ALA . 4.3 p -80.67 -0.96 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.909 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.827 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -89.46 -24.52 21.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.132 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.459 HD23 HG12 ' A' ' 73' ' ' ILE . 93.2 mt -62.4 148.7 44.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.601 178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.594 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 18.6 ptpt -121.9 44.03 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -170.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.14 124.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.709 0.766 . . . . 0.0 112.735 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.43 -14.37 65.13 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.434 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -79.71 148.14 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -115.31 128.42 56.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HB2' HD11 ' A' ' 6' ' ' LEU . . . -135.17 164.71 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.007 0.432 . . . . 0.0 111.077 -177.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -121.0 127.99 52.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.988 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.4 t -71.14 125.79 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.853 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -100.75 -34.02 10.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.094 0.473 . . . . 0.0 110.565 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -158.91 147.97 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.766 HG22 HG12 ' A' ' 69' ' ' ILE . 3.3 p -126.96 111.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.373 0.606 . . . . 0.0 110.562 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.24 112.91 26.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.038 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.26 171.66 16.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.725 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -62.3 148.37 89.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.5 -52.08 6.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 123.609 2.873 . . . . 0.0 113.425 -176.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.84 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.208 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.77 -45.26 77.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.288 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -61.74 -43.22 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.081 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -58.58 -44.51 89.83 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.659 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.472 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.3 mtt180 -58.36 -47.96 82.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.704 0.288 . . . . 0.0 110.826 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 HD12 ' A' ' 69' ' ' ILE . 85.1 mt -61.04 -46.82 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.157 0.503 . . . . 0.0 110.708 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 89.8 mtp -67.87 -35.8 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.176 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.34 -32.09 69.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.568 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.3 mt -70.42 -40.02 74.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 176.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.426 ' HA3' ' HE3' ' A' ' 57' ' ' MET . . . 144.54 19.32 0.18 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.995 177.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -105.25 98.91 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.015 0.436 . . . . 0.0 110.065 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.33 -179.63 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.004 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -67.97 127.52 33.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.85 -4.84 68.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.862 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.52 127.68 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -94.82 129.29 41.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 38' ' ' LEU . 2.2 pt? -136.07 145.62 46.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.103 0.478 . . . . 0.0 111.31 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -110.38 124.97 52.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.729 175.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 ' HA ' HG11 ' A' ' 52' ' ' VAL . 59.1 t -71.93 126.86 33.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.74 -63.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.432 ' HG2' ' H ' ' A' ' 43' ' ' PHE . 24.6 ttp180 -170.46 167.65 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.971 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.594 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 82.6 m-85 -94.25 164.15 13.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.991 172.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -78.02 166.41 43.62 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 165.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.33 1.72 0.24 Allowed 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.116 2.544 . . . . 0.0 114.415 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 44' ' ' ALA . 80.2 mt -132.6 7.5 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.92 -176.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.71 -3.12 84.35 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.915 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.71 132.95 8.76 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.14 -171.2 9.54 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.782 -1.341 . . . . 0.0 112.782 -1.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.3 mt -124.03 136.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.867 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -104.04 129.08 51.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.624 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG11 ' HA ' ' A' ' 40' ' ' VAL . 28.4 m -137.76 153.82 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.446 . . . . 0.0 111.427 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -109.38 100.97 9.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.66 115.03 29.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.209 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 59.35 27.46 16.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.472 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.45 -5.88 62.87 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.442 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.426 ' HE3' ' HA3' ' A' ' 31' ' ' GLY . 4.2 mpp? -101.22 126.89 47.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.114 0.457 . . . . 0.0 110.073 175.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.5 110.43 22.5 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -132.46 135.69 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -175.161 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.6 m -91.18 123.1 34.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.464 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.506 ' HE3' ' HB2' ' A' ' 66' ' ' ALA . 10.3 ptm -126.42 164.03 22.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.104 0.478 . . . . 0.0 111.148 -174.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 8.5 mmm180 -86.38 150.04 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.485 -173.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -58.97 -39.23 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.336 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -61.15 -30.49 70.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.841 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 69' ' ' ILE . 45.5 mt-10 -74.86 -43.78 52.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.04 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.506 ' HB2' ' HE3' ' A' ' 61' ' ' MET . . . -68.04 -31.09 70.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.982 -177.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -60.13 -44.3 95.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.193 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.83 -20.25 72.22 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.078 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.766 HG12 HG22 ' A' ' 17' ' ' VAL . 62.6 mt -87.59 125.07 41.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.207 0.527 . . . . 0.0 111.104 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -102.49 123.12 45.68 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.88 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.5 m -127.7 167.96 21.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.556 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 171.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.459 HG12 HD23 ' A' ' 6' ' ' LEU . 56.8 mt -66.73 130.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 0.0 111.333 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.6 77.36 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.432 0.634 . . . . 0.0 109.794 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.01 175.22 13.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.712 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.07 -2.84 39.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.185 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -80.1 98.25 7.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.715 -0.242 . . . . 0.0 110.442 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 54.41 70.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.21 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.6 -31.24 24.92 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.4 m80 68.85 147.52 0.12 Allowed Pre-proline 0 N--CA 1.467 0.392 0 O-C-N 124.565 0.803 . . . . 0.0 112.489 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.93 136.17 34.46 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.596 2.197 . . . . 0.0 110.477 170.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -97.67 102.58 14.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.147 0.499 . . . . 0.0 111.657 -173.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.36 105.12 3.25 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.447 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 6.0 m95 -83.62 144.82 46.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.041 0.448 . . . . 0.0 111.872 -175.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 16.4 Cg_exo -68.41 144.22 60.76 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.281 2.654 . . . . 0.0 111.311 174.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -110.3 161.88 12.78 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.149 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 73.55 98.58 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.684 0.794 . . . . 0.0 111.994 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -134.32 132.56 39.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.957 173.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -153.94 122.47 6.23 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -89.37 -38.88 13.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.172 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -106.26 103.56 13.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.394 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 92' ' ' ARG . 42.4 mtt180 -93.51 72.89 4.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.231 174.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 55.73 44.8 25.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.31 65.69 3.32 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.61 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -140.31 108.12 5.67 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.373 0.269 . . . . 0.0 110.72 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 66.4 109.41 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.861 0.839 . . . . 0.0 112.78 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.77 155.1 19.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.939 174.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.02 133.27 39.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.831 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -93.71 149.62 21.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.153 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -93.19 174.32 7.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.696 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -114.78 137.17 52.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -97.18 -78.21 0.48 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.636 0.255 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -121.56 174.6 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.404 ' HD2' ' ND1' ' A' ' 105' ' ' HIS . 45.6 p-80 -133.27 156.14 48.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.949 -174.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.404 ' ND1' ' HD2' ' A' ' 104' ' ' HIS . 56.0 m80 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.931 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 ptm . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.534 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 13.7 mptt -85.9 151.05 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.702 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.556 HD21 HD13 ' A' ' 69' ' ' ILE . 29.7 tp -65.06 -31.49 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -76.4 -15.34 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.237 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 17.8 mm-40 -95.21 1.83 54.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.121 -176.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.618 HD12 HG22 ' A' ' 71' ' ' VAL . 25.0 mt -77.22 -177.11 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.6 . . . . 0.0 111.668 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 73.6 mmtt -120.11 149.76 41.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.637 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.71 105.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.39 6.86 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.84 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 179.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 11' ' ' ARG . 16.7 ttm180 -113.22 128.62 56.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.54 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.28 174.03 11.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -124.78 133.31 53.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.33 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.531 HG21 HD23 ' A' ' 38' ' ' LEU . 89.6 t -69.84 122.7 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 p -96.6 -41.44 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 148.68 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.285 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.661 HG11 HG12 ' A' ' 69' ' ' ILE . 52.6 t -124.15 117.95 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.45 101.14 10.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.478 176.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.76 -176.94 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.473 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -65.3 144.1 98.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.68 -42.19 70.72 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.811 2.341 . . . . 0.0 112.344 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.55 83.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.151 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.85 -35.67 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.523 -175.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 28' ' ' MET . 43.8 ttp180 -63.22 -49.16 75.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.932 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 25' ' ' ARG . 32.1 mtm105 -64.38 -31.9 73.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.151 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -43.24 89.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.83 -39.34 56.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.443 ' HG2' HG12 ' A' ' 33' ' ' VAL . 88.1 mtp -61.96 -37.78 86.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -34.86 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.751 175.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.716 HD12 HD21 ' A' ' 59' ' ' LEU . 97.1 mt -71.98 -41.16 68.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.032 177.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.33 -0.66 1.12 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.655 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -82.26 92.78 6.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.14 0.495 . . . . 0.0 110.128 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.45 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 28.8 m -133.47 -175.98 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.092 178.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -68.9 116.59 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 175.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.05 -1.05 38.24 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.843 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.26 123.69 25.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.52 0.2 . . . . 0.0 110.606 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.505 ' HG2' HD12 ' A' ' 74' ' ' LEU . 57.2 mttp -91.02 126.53 36.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.807 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD23 HG21 ' A' ' 14' ' ' VAL . 2.4 pt? -140.99 149.38 41.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.999 0.428 . . . . 0.0 110.735 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -118.23 135.56 54.19 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.558 ' HA ' HG13 ' A' ' 52' ' ' VAL . 70.6 t -70.2 118.35 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 53' ' ' ASN . 87.5 mt -90.58 -56.68 3.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.18 143.12 27.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.983 -173.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.75 133.61 53.19 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 165.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.561 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . . . -62.99 161.74 27.98 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 44' ' ' ALA . 22.2 Cg_endo -61.24 5.88 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.715 0 C-N-CA 123.153 2.569 . . . . 0.0 114.168 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 44' ' ' ALA . 94.7 mt -132.5 10.06 4.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.181 0.515 . . . . 0.0 109.812 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.98 20.69 79.04 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -170.1 127.67 0.78 Allowed Pre-proline 0 C--N 1.326 -0.415 0 C-N-CA 122.904 0.481 . . . . 0.0 109.71 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.66 -175.93 17.67 Favored 'Cis proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.984 1.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -122.26 137.11 56.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.429 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.2 121.05 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.123 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 40' ' ' VAL . 31.4 m -133.33 150.05 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.015 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.523 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 49.7 t-20 -101.82 105.36 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -107.92 108.53 19.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.068 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.47 28.48 13.78 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.078 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.56 -4.2 63.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.546 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.41 ' HE1' ' O ' ' A' ' 30' ' ' LEU . 4.4 mpp? -104.53 117.72 34.83 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -82.91 105.33 13.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.716 HD21 HD12 ' A' ' 30' ' ' LEU . 9.8 mt -101.3 144.41 30.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.016 -172.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m -128.61 120.55 26.84 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.019 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 -179.5 6.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -91.45 161.45 14.98 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.552 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 39.7 ttt85 -58.92 -36.98 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.28 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.37 -32.49 70.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.08 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 mp0 -69.67 -46.49 65.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.043 0.449 . . . . 0.0 109.986 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.56 78.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.282 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 44.0 mt-10 -63.38 -36.33 83.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.161 0.505 . . . . 0.0 110.366 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.05 -25.18 73.34 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.669 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.661 HG12 HG11 ' A' ' 17' ' ' VAL . 61.4 mt -86.3 132.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.593 . . . . 0.0 111.722 -173.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 m -105.28 130.65 53.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.537 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.618 HG22 HD12 ' A' ' 6' ' ' LEU . 33.3 m -129.35 158.69 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -121.89 121.67 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.983 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.99 134.16 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.324 0.583 . . . . 0.0 111.817 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD12 ' HG2' ' A' ' 37' ' ' LYS . 48.9 mt -92.6 51.06 1.67 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.81 0.814 . . . . 0.0 110.549 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.84 28.06 0.48 Allowed 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.25 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.63 -33.79 0.33 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.705 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t70 65.86 17.17 10.76 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.542 0.687 . . . . 0.0 110.546 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -82.69 163.32 21.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.97 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 107.12 -115.86 4.78 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -176.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -170.88 143.77 1.73 Allowed Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.4 126.49 22.42 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.579 2.186 . . . . 0.0 111.833 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -64.01 163.92 11.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.037 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.63 -166.01 11.22 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.168 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 71.48 144.2 0.1 Allowed Pre-proline 0 C--N 1.33 -0.258 0 C-N-CA 123.52 0.728 . . . . 0.0 111.782 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.36 -39.84 73.36 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.913 2.409 . . . . 0.0 112.027 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.63 151.71 28.58 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.238 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -150.96 114.75 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.908 0.385 . . . . 0.0 110.233 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -122.33 139.14 54.17 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.518 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.5 mtt85 -58.5 124.45 19.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.334 0.588 . . . . 0.0 111.915 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -133.21 -167.97 2.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.856 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 68.08 -169.12 0.19 Allowed 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.681 0.613 . . . . 0.0 110.374 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -148.81 162.98 38.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -122.3 124.82 44.64 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 145.15 144.81 4.19 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.611 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -172.77 103.63 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -83.62 116.19 22.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.97 126.95 32.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.944 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.61 -7.51 52.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.918 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 64.49 -168.48 0.21 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.495 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -111.65 152.76 27.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.343 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -94.57 86.22 4.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.239 0.542 . . . . 0.0 109.583 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -73.05 -24.25 60.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.917 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 65.99 174.33 0.23 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.395 0.617 . . . . 0.0 111.353 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -114.78 -39.97 3.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.808 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.567 179.142 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.576 ' HB2' ' HB2' ' A' ' 81' ' ' PRO . 50.1 ttp . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -86.77 153.8 21.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.611 HD22 HD11 ' A' ' 69' ' ' ILE . 18.4 tp -65.74 -33.52 76.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.68 172.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -75.33 -8.43 56.65 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.601 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -97.07 1.66 50.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.562 HD11 HG22 ' A' ' 71' ' ' VAL . 50.3 mt -79.6 178.34 8.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.223 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.8 156.07 48.67 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 116.99 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.241 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.56 -32.08 4.4 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.25 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.71 151.68 37.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.322 0.582 . . . . 0.0 112.496 -172.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -114.54 141.61 47.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.866 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.78 165.84 27.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.23 0.538 . . . . 0.0 111.556 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.708 ' HB2' HD22 ' A' ' 74' ' ' LEU . 34.4 tt0 -113.67 131.9 55.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.158 176.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.47 119.05 21.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.867 0.365 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -95.78 -34.0 12.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 p -162.44 147.38 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.753 HG13 HG12 ' A' ' 69' ' ' ILE . 60.1 t -120.58 119.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.413 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.06 104.72 14.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.965 0.412 . . . . 0.0 110.066 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.04 172.28 17.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.559 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 11.6 tm-20 -58.28 141.87 82.0 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.455 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 6.6 Cg_endo -51.27 -43.02 51.54 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.087 2.525 . . . . 0.0 113.443 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.3 -44.59 68.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.752 0.31 . . . . 0.0 110.655 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 74.0 t -66.94 -40.34 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.18 0.514 . . . . 0.0 109.997 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.89 -39.95 91.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.945 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.25 -41.22 99.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.401 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 76.0 mtp180 -70.9 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.7 mt -60.72 -46.04 91.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 109.895 176.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 42.7 mtm -70.49 -27.45 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.751 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.21 -47.9 69.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.981 175.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.92 14.99 0.21 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.129 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.81 89.26 4.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.3 m -125.68 -176.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.218 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -67.81 114.7 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.96 -1.8 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.387 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.96 136.35 41.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.866 0.365 . . . . 0.0 110.425 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.61 128.65 54.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.9 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.84 160.47 38.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.143 0.496 . . . . 0.0 111.684 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -122.11 124.2 43.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.483 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.671 ' HA ' HG11 ' A' ' 52' ' ' VAL . 57.7 t -71.53 117.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.715 HD11 HD22 ' A' ' 58' ' ' LEU . 68.1 mt -83.33 -62.65 1.53 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.929 0.395 . . . . 0.0 110.373 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -161.82 152.43 17.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.009 -175.467 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -105.08 155.43 19.0 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . . . -73.32 165.38 53.4 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 44' ' ' ALA . 72.8 Cg_exo -49.31 -33.34 28.45 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.72 2.28 . . . . 0.0 113.02 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.18 1.0 54.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.279 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.4 0.06 86.78 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.838 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -151.43 132.18 7.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -78.6 -170.81 9.1 Favored 'Cis proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.565 -1.431 . . . . 0.0 113.493 1.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.4 mt -126.55 139.65 51.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.331 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -108.44 121.36 44.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.681 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.671 HG11 ' HA ' ' A' ' 40' ' ' VAL . 23.4 m -135.79 146.6 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.128 0.489 . . . . 0.0 111.246 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.76 100.22 12.75 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 42.9 t -110.85 118.67 36.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.952 0.406 . . . . 0.0 111.063 -173.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.56 27.88 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.39 -3.5 63.75 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.5 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 71.7 mtm -121.01 138.64 54.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.115 0.458 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.715 HD22 HD11 ' A' ' 41' ' ' LEU . 68.6 mt -75.91 107.39 8.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.854 178.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 54' ' ' CYS . 8.0 mt -111.12 137.52 48.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.904 0.383 . . . . 0.0 110.393 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.76 130.76 45.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.885 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.583 ' HE3' HD22 ' A' ' 3' ' ' LEU . 21.1 ptm -143.22 166.86 23.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.102 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -96.21 163.14 13.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.536 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 29.4 ttt180 -61.72 -34.28 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.025 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.84 -49.9 61.95 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.8 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.621 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.2 mp0 -64.25 -43.39 95.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB2' ' HE2' ' A' ' 61' ' ' MET . . . -63.83 -28.46 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.931 -175.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 36.7 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 109.909 174.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.582 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.49 -36.9 84.77 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.726 -0.67 . . . . 0.0 113.127 175.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.753 HG12 HG13 ' A' ' 17' ' ' VAL . 61.5 mt -74.41 132.5 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.395 0.617 . . . . 0.0 111.443 -174.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -109.73 128.29 55.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.821 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.562 HG22 HD11 ' A' ' 6' ' ' LEU . 29.3 m -132.63 160.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.196 0.522 . . . . 0.0 111.393 -175.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -123.46 129.62 51.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.21 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.51 129.17 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.985 0.422 . . . . 0.0 111.211 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.708 HD22 ' HB2' ' A' ' 13' ' ' GLU . 95.0 mt -83.2 80.58 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.138 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -172.82 174.44 3.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.358 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.48 43.81 3.27 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 175.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -127.4 103.33 7.31 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -147.47 179.62 7.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.92 -86.65 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -161.03 79.46 2.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-O 121.426 0.631 . . . . 0.0 111.018 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.576 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 7.3 Cg_exo -73.55 128.93 13.14 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.716 2.277 . . . . 0.0 111.261 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.521 ' ND1' ' HA ' ' A' ' 1' ' ' MET . 27.2 m80 67.98 121.95 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.013 0.82 . . . . 0.0 110.932 -173.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.87 -122.9 4.11 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.433 -173.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -110.34 142.31 25.75 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.733 -0.234 . . . . 0.0 110.409 -172.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -57.73 -52.82 5.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.99 2.46 . . . . 0.0 112.367 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.93 13.89 26.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.659 -0.781 . . . . 0.0 113.45 175.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 90.6 t80 65.99 118.9 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.391 0.615 . . . . 0.0 111.562 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -78.6 119.93 22.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -75.24 141.88 43.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.318 -175.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.03 146.03 28.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -167.82 162.73 13.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.861 0.362 . . . . 0.0 111.035 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 92' ' ' ARG . 38.7 ttt-85 -157.33 -62.27 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.422 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.5 t80 58.76 86.6 0.08 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.895 0.747 . . . . 0.0 110.824 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.86 -53.33 6.41 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.667 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.1 tttp 59.13 91.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.403 0.62 . . . . 0.0 110.842 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -98.43 130.88 45.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.777 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.49 104.43 15.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.141 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 tt -105.83 116.0 31.19 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.77 111.43 20.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -139.38 110.92 7.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.569 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -80.73 152.86 28.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' A' ' 104' ' ' HIS . 3.5 t-160 -55.23 -52.95 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.377 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 64.3 t60 71.19 -24.71 0.17 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.493 0.717 . . . . 0.0 112.19 177.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 102' ' ' HIS . 31.1 m80 71.64 -164.79 0.13 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.06 0.544 . . . . 0.0 110.265 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.0 m170 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.962 -176.06 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.827 ' HE2' HD11 ' A' ' 73' ' ' ILE . 12.8 tpt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.507 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.9 mptt -84.78 145.63 27.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.681 HD11 HD11 ' A' ' 6' ' ' LEU . 35.0 tp -65.47 -32.42 74.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.336 0.589 . . . . 0.0 109.765 175.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.44 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 28.9 t -74.55 -14.77 60.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.78 176.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.507 ' CG ' ' HB2' ' A' ' 2' ' ' LYS . 24.2 mm-40 -88.29 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.681 HD11 HD11 ' A' ' 3' ' ' LEU . 55.4 mt -76.56 174.22 10.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 177.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.91 159.79 39.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.757 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.32 -27.03 5.91 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.591 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.72 149.97 41.5 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.261 0.553 . . . . 0.0 111.523 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -122.48 136.9 55.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.37 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.27 163.03 33.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.583 0.23 . . . . 0.0 111.058 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -110.32 126.6 54.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.603 ' HA ' HG13 ' A' ' 71' ' ' VAL . 60.8 t -71.0 120.32 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.696 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.5 p -99.76 -27.54 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -162.95 152.2 15.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.321 . . . . 0.0 110.731 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.716 HG11 HG12 ' A' ' 69' ' ' ILE . 52.8 t -126.77 132.64 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -132.02 106.85 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.415 0.626 . . . . 0.0 110.786 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -161.16 175.03 12.8 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 143.96 72.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.51 -42.08 68.48 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.124 2.55 . . . . 0.0 112.84 -173.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.46 86.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.082 0.468 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.9 -46.03 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.125 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -63.22 -34.39 77.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.508 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.0 -42.11 98.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.21 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 67.5 mtt180 -65.54 -38.48 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.886 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.24 -48.23 74.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.7 mtp -64.07 -37.3 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.74 -45.75 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.529 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 97.6 mt -64.6 -39.94 94.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.531 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.54 0.82 0.94 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.54 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.16 96.51 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.251 0.548 . . . . 0.0 110.016 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.91 176.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.375 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -62.38 123.53 18.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.746 0.307 . . . . 0.0 110.239 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.29 -13.01 48.25 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.963 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.76 126.12 29.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -105.37 128.86 53.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.341 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.617 HD12 HD12 ' A' ' 3' ' ' LEU . 2.3 pt? -135.48 153.11 51.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.006 0.431 . . . . 0.0 111.673 -172.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -106.43 125.23 50.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.748 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.618 ' HA ' HG13 ' A' ' 52' ' ' VAL . 47.6 t -72.3 121.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.02 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.81 157.36 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.166 0.507 . . . . 0.0 111.191 -172.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.53 141.86 51.59 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.088 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -66.97 163.45 44.16 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 30.2 Cg_endo -62.85 1.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.756 2.304 . . . . 0.0 113.837 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -133.28 17.21 4.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.684 0.278 . . . . 0.0 110.974 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.22 19.31 79.6 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.653 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -168.77 124.56 0.78 Allowed Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.74 176.44 39.91 Favored 'Cis proline' 0 C--O 1.236 0.413 0 C-N-CA 123.297 -1.543 . . . . 0.0 113.465 2.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.45 135.92 51.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.65 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.756 ' HG2' ' HG1' ' A' ' 60' ' ' THR . 41.6 mt-10 -110.19 119.42 39.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.149 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 40' ' ' VAL . 29.6 m -131.86 149.02 32.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.079 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -96.95 103.2 15.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.7 t -105.97 101.92 11.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.734 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 61.22 30.09 19.06 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.21 -3.18 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.599 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -108.42 117.27 33.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.73 111.54 12.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.803 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.412 HD23 HD12 ' A' ' 30' ' ' LEU . 8.2 mt -108.5 129.03 55.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.295 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.756 ' HG1' ' HG2' ' A' ' 51' ' ' GLU . 56.2 m -114.59 120.66 40.94 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -148.55 178.58 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.729 0.299 . . . . 0.0 111.282 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -92.69 161.72 14.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.505 -171.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.36 -38.57 87.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.704 -174.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -58.52 -36.29 73.6 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.93 0.395 . . . . 0.0 110.737 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.592 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.6 mt-10 -67.9 -43.92 78.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.049 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' HB2' ' HB2' ' A' ' 4' ' ' SER . . . -73.44 -26.49 60.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.557 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.77 -45.03 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.013 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.82 -21.87 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.121 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.716 HG12 HG11 ' A' ' 17' ' ' VAL . 72.5 mt -85.42 123.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.474 . . . . 0.0 111.31 -177.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -96.43 126.02 41.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.974 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.603 HG13 ' HA ' ' A' ' 14' ' ' VAL . 35.2 m -130.8 169.83 20.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -128.62 128.18 43.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.827 HD11 ' HE2' ' A' ' 1' ' ' MET . 42.6 mt -70.13 133.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.104 0.478 . . . . 0.0 111.217 -176.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.5 mt -80.72 76.41 7.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.556 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.06 -178.87 4.45 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.943 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.55 12.81 25.77 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -175.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.93 82.99 0.11 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 114.899 -0.65 . . . . 0.0 110.959 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.89 154.5 17.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.827 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.69 153.61 49.13 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.396 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.0 m80 61.56 78.65 0.3 Allowed Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.93 -40.17 22.03 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.605 2.203 . . . . 0.0 111.984 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -172.89 171.62 4.25 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.85 32.27 2.03 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -97.43 142.36 24.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.092 -0.554 . . . . 0.0 110.375 -174.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.22 94.66 1.06 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.608 2.206 . . . . 0.0 111.061 173.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.33 80.06 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.515 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -78.24 156.49 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 88' ' ' ARG . 36.8 ttt180 -109.74 99.15 8.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 0.0 110.698 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -136.79 137.67 40.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.991 176.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -171.32 147.18 2.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -110.89 116.6 31.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.925 0.393 . . . . 0.0 110.175 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -79.54 132.45 36.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.238 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -80.22 156.95 26.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.535 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.56 176.68 38.87 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.042 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -66.85 147.19 53.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.886 0.374 . . . . 0.0 110.964 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -83.0 149.9 26.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.433 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.22 103.83 7.38 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.213 176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.702 HD21 ' H ' ' A' ' 98' ' ' LEU . 2.2 pt? -93.16 139.92 30.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.343 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 62.46 94.7 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.222 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -86.28 147.61 26.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.028 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -84.59 122.7 29.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.104 -175.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -93.41 -25.02 17.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.406 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.5 m80 61.41 -168.19 0.18 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.73 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -130.79 -168.24 1.96 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.449 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.2 177.864 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.442 ' HE1' HD11 ' A' ' 73' ' ' ILE . 28.1 ttt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 1.034 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 1.4 mptm? -77.59 152.73 33.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.178 0.513 . . . . 0.0 111.558 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 6' ' ' LEU . 28.3 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.161 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -74.81 -13.72 60.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.107 -0.952 . . . . 0.0 111.199 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 1.034 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 50.4 mt-10 -89.48 3.71 51.5 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.964 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 3' ' ' LEU . 63.0 mt -79.71 177.91 8.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.269 0.557 . . . . 0.0 111.656 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 29.5 mttp -115.29 162.68 16.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.965 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.8 104.46 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.88 1.78 28.66 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.099 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.466 ' HB2' ' H ' ' A' ' 7' ' ' LYS . 1.2 t0 -74.94 163.68 27.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 110.69 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.75 120.36 26.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.537 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -140.09 160.26 40.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.117 0.484 . . . . 0.0 111.615 -177.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.5 tt0 -119.17 128.23 54.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.841 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.13 126.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.003 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.3 p -102.23 -36.64 8.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -160.66 147.55 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.494 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.66 HG13 HG12 ' A' ' 69' ' ' ILE . 59.4 t -122.89 116.2 48.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.84 99.1 8.75 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.64 -175.73 5.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.161 -174.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.568 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 2.6 mm-40 -52.9 142.03 35.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 173.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.568 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 10.2 Cg_endo -58.87 -37.01 95.95 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.375 2.05 . . . . 0.0 111.586 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.6 62.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.153 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.27 -46.67 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 28' ' ' MET . 53.1 ttp180 -59.49 -42.14 91.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.947 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -59.91 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.881 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 78.1 ttt180 -56.84 -45.79 82.14 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 91.0 mt -65.29 -40.84 94.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 50.2 mtm -74.72 -31.03 61.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.807 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -64.37 -31.45 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.0 mt -72.05 -46.62 56.3 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.02 -1.89 0.7 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.385 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' ' HG2' ' A' ' 28' ' ' MET . 6.2 tt -83.12 84.51 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.489 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 33.9 m -121.82 -174.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.928 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -67.62 115.97 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.62 -1.93 36.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.25 -175.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.14 126.74 31.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.595 0.236 . . . . 0.0 110.674 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -97.27 128.21 43.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 38' ' ' LEU . 2.1 pt? -139.7 148.25 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.174 0.511 . . . . 0.0 111.62 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -110.29 126.08 53.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.165 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' HA ' HG12 ' A' ' 52' ' ' VAL . 75.1 t -70.05 104.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -71.66 -61.57 1.73 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.89 0.376 . . . . 0.0 110.356 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 42' ' ' ARG . 11.3 mtt180 -160.02 153.04 21.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.047 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' HD2' HG12 ' A' ' 50' ' ' ILE . 34.1 m-85 -92.45 153.97 18.79 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 165.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -58.13 155.15 26.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.41 8.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.48 0.7 0 C-N-CA 123.897 3.065 . . . . 0.0 114.381 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 44' ' ' ALA . 89.2 mt -131.34 -36.85 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.77 -25.16 0.83 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.854 177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -151.3 142.36 15.25 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -85.01 -167.52 5.14 Favored 'Cis proline' 0 C--O 1.234 0.313 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.216 1.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.483 HG12 ' HD2' ' A' ' 43' ' ' PHE . 48.8 mt -116.79 136.04 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -103.72 118.11 35.94 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 40' ' ' VAL . 18.5 m -122.65 136.97 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.08 0.467 . . . . 0.0 111.031 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -93.68 100.27 12.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -107.44 116.08 31.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.97 35.69 22.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.197 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.46 49.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.791 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.3 mtm -97.39 131.48 44.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.854 0.359 . . . . 0.0 110.728 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.73 105.95 13.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.068 0.461 . . . . 0.0 109.91 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.29 126.92 51.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.626 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 m -107.88 120.79 43.28 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.42 171.14 14.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.227 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 5.4 mmt180 -86.59 151.25 23.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.103 -173.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.67 -38.3 77.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.533 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -65.35 -28.43 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.597 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 38.7 mt-10 -71.43 -38.36 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.96 68.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 44.8 mm-40 -64.05 -40.48 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.113 0.482 . . . . 0.0 110.889 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.43 -18.59 69.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.038 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.66 HG12 HG13 ' A' ' 17' ' ' VAL . 69.8 mt -92.7 128.69 44.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 0.0 111.279 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' MET . 24.6 m -100.78 129.79 46.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.404 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.537 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 27.0 m -122.73 160.4 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 0.0 111.63 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.184 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.442 HD11 ' HE1' ' A' ' 1' ' ' MET . 36.7 mm -70.71 126.8 31.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 13' ' ' GLU . 32.3 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 121.471 0.653 . . . . 0.0 111.032 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.403 ' HE1' HD11 ' A' ' 73' ' ' ILE . 27.4 ttt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 14.1 mptt -83.25 146.83 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.287 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.584 HD23 HD12 ' A' ' 69' ' ' ILE . 20.0 tp -65.05 -29.79 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.522 0.677 . . . . 0.0 109.234 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 t -75.34 -11.24 60.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.039 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER -93.76 -2.3 53.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 -178.761 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.538 HD12 HD12 ' A' ' 3' ' ' LEU . 62.8 mt -76.86 160.16 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -111.06 169.53 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 108.99 4.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.068 0.461 . . . . 0.0 110.54 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.99 -12.37 20.09 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.212 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.27 137.78 40.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -115.16 122.88 47.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.732 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.93 158.52 43.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.843 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.668 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 15.5 pt-20 -108.19 144.98 34.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.783 0.325 . . . . 0.0 110.162 175.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.4 t -76.35 117.53 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -97.63 -26.81 14.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.65 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.48 ' HB3' ' HB ' ' A' ' 70' ' ' THR . 27.5 t -159.57 157.58 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 HG12 ' A' ' 69' ' ' ILE . 7.6 p -143.08 133.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.13 110.14 9.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.351 . . . . 0.0 110.657 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -164.42 174.06 11.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.116 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.13 146.41 77.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.349 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.58 -40.73 71.91 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.23 2.62 . . . . 0.0 113.124 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.01 86.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.099 0.476 . . . . 0.0 111.059 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.435 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 87.1 t -69.33 -41.88 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.969 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' MET . 35.6 ttm180 -60.88 -47.53 85.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.748 178.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -57.66 -41.09 80.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.617 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.463 HH11 ' HD3' ' A' ' 26' ' ' ARG . 16.9 ttt180 -61.73 -46.33 90.1 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 176.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.2 mt -62.33 -42.74 99.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.569 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.3 mtp -61.51 -38.12 86.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.15 -30.37 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.66 0.41 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.837 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.86 17.01 53.43 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.759 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 tt -98.37 93.95 6.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.243 0.544 . . . . 0.0 109.718 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.72 178.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.547 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -66.1 122.58 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -18.12 40.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.79 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 133.1 46.13 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.668 ' HG2' ' HB3' ' A' ' 13' ' ' GLU . 38.3 mttp -109.78 130.63 55.5 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.123 -174.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -133.14 163.81 28.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.705 -173.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -135.59 134.93 39.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.652 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.761 ' HA ' HG12 ' A' ' 52' ' ' VAL . 57.2 t -73.1 126.45 33.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -91.29 -54.76 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 1.8 ptm180 -157.65 168.02 28.45 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.968 0.414 . . . . 0.0 111.339 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.5 148.61 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.415 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -75.01 165.84 50.52 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 173.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 31.1 Cg_endo -62.81 5.99 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.212 2.608 . . . . 0.0 114.105 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.6 mt -131.97 11.48 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.694 0.283 . . . . 0.0 110.297 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.46 71.45 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.61 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -161.88 128.04 2.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 4.0 Cg_exo -78.48 -179.27 26.4 Favored 'Cis proline' 0 C--O 1.235 0.366 0 C-N-CA 123.663 -1.39 . . . . 0.0 113.416 1.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.29 137.57 55.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.204 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -111.18 124.93 53.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.761 HG12 ' HA ' ' A' ' 40' ' ' VAL . 30.4 m -133.73 157.19 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.069 0.461 . . . . 0.0 111.477 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 50.6 t-20 -105.21 100.98 10.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.539 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 53.8 t -111.46 115.02 28.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.941 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 64.03 20.54 12.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.72 -1.04 63.36 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.881 -177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.6 tpp -96.57 127.79 42.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 105.21 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -130.33 140.46 50.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.406 -174.005 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.8 m -94.93 125.91 39.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.3 ptm -132.52 160.74 35.66 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.231 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.514 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 6.4 mmm180 -87.2 156.91 19.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 0.0 110.388 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.19 -44.76 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.555 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 7.9 p30 -60.39 -28.62 68.37 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 -178.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 43.0 mt-10 -71.83 -38.79 70.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' HB1' ' HG ' ' A' ' 3' ' ' LEU . . . -73.48 -25.98 60.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.754 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.555 ' HG3' ' HA ' ' A' ' 64' ' ' ASN . 2.5 mm-40 -60.22 -46.52 89.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.825 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.41 -16.71 67.66 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.169 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.659 HG12 HG23 ' A' ' 17' ' ' VAL . 64.9 mt -91.56 133.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.294 0.569 . . . . 0.0 111.323 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.48 ' HB ' ' HB3' ' A' ' 16' ' ' SER . 17.7 m -107.26 125.04 50.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.772 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.75 161.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.083 0.468 . . . . 0.0 111.509 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -125.25 119.92 29.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.215 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.403 HD11 ' HE1' ' A' ' 1' ' ' MET . 57.2 mt -63.86 132.66 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.004 0.43 . . . . 0.0 110.689 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 37' ' ' LYS . 48.0 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.565 0.697 . . . . 0.0 110.666 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.713 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -81.28 156.53 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.251 0.548 . . . . 0.0 112.017 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.602 HD12 HD12 ' A' ' 6' ' ' LEU . 31.3 tp -65.56 -29.74 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.525 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 t -71.91 -20.42 61.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.018 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.713 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 20.9 mm-40 -94.42 6.75 47.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.735 -176.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.741 HD22 HD11 ' A' ' 73' ' ' ILE . 23.0 mt -82.25 -179.5 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.141 0.496 . . . . 0.0 111.564 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HE2' ' OD2' ' A' ' 10' ' ' ASP . 38.1 mtmt -126.21 169.27 13.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.359 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 109.41 7.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.24 5.38 34.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.686 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' OD2' ' HE2' ' A' ' 7' ' ' LYS . 1.2 m-20 -87.08 118.81 26.72 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.306 0.574 . . . . 0.0 110.707 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -100.77 119.96 39.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.556 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.799 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -134.89 172.68 12.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.315 -172.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -123.51 131.59 53.68 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 38' ' ' LEU . 59.5 t -70.96 125.39 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.731 0.301 . . . . 0.0 110.845 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -89.95 -52.62 4.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.002 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -153.66 136.7 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.014 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.669 HG13 HG12 ' A' ' 69' ' ' ILE . 25.6 t -102.08 108.46 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.569 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.54 106.91 19.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.22 174.42 15.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 -173.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.826 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -62.47 142.85 96.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.318 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.826 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 1.1 Cg_endo -45.53 -49.1 10.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.217 2.611 . . . . 0.0 113.236 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.42 70.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.422 HG11 ' OE1' ' A' ' 65' ' ' GLU . 77.9 t -65.94 -44.29 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.018 0.437 . . . . 0.0 110.212 -177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -61.11 -43.54 98.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.709 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 51.5 tpt85 -59.91 -40.24 88.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.669 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 99.3 mtt180 -69.88 -47.35 62.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.729 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 41.4 mtm -69.35 -28.61 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' ARG . 15.9 t70 -68.09 -35.46 78.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.8 mt -73.44 -42.5 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.306 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.3 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' HG2' ' A' ' 28' ' ' MET . 4.9 tt -101.61 91.33 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.25 -178.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -66.14 129.37 39.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.266 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 -0.98 79.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.97 126.2 30.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.83 0.347 . . . . 0.0 110.282 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -92.14 124.64 36.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.669 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.595 HD22 HG23 ' A' ' 14' ' ' VAL . 2.4 pt? -135.42 149.58 49.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 -176.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.73 124.58 47.65 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.701 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.503 HG22 HG12 ' A' ' 52' ' ' VAL . 95.0 t -70.57 109.62 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.34 -54.8 20.41 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -171.41 165.87 7.0 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.298 0.57 . . . . 0.0 110.463 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.87 153.17 17.9 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 167.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.3 162.25 34.49 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 25.1 Cg_endo -61.11 6.13 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.133 2.555 . . . . 0.0 113.796 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 44' ' ' ALA . 95.3 mt -132.45 14.62 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.19 -20.45 16.68 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.387 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -144.21 138.89 15.25 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.29 -170.05 7.59 Favored 'Cis proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.666 -1.389 . . . . 0.0 113.515 0.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.625 HD11 ' HG3' ' A' ' 63' ' ' ARG . 38.8 mt -118.35 140.63 41.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.37 115.05 29.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.075 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.503 HG12 HG22 ' A' ' 40' ' ' VAL . 25.4 m -121.72 136.26 59.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.918 0.389 . . . . 0.0 110.753 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -97.79 101.41 12.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.5 t -107.03 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -173.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 57.0 26.65 12.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.085 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.3 62.81 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.936 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -105.87 121.94 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.17 109.07 15.36 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.57 140.33 39.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.991 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.1 m -127.06 129.45 48.04 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.63 176.8 11.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.789 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.613 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 18.0 mmm180 -79.64 149.31 31.33 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.625 ' HG3' HD11 ' A' ' 50' ' ' ILE . 67.4 ttt180 -62.35 -28.78 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -54.73 -42.66 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.853 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.613 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.3 mm-40 -67.29 -38.28 84.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.343 0.592 . . . . 0.0 109.91 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.48 64.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.144 -174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.28 -34.74 79.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.529 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.63 -34.35 83.47 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.568 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.669 HG12 HG13 ' A' ' 17' ' ' VAL . 50.9 mt -80.58 122.51 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.915 0.388 . . . . 0.0 111.152 -175.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 m -97.45 130.11 44.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.651 HG21 HD11 ' A' ' 6' ' ' LEU . 26.9 m -133.31 155.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -114.96 123.22 48.55 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.799 HD13 ' HB2' ' A' ' 12' ' ' ALA . 10.5 mm -68.93 122.29 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.215 0.531 . . . . 0.0 111.078 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.445 -0.711 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.491 178.468 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.86 0.362 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.579 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 12.8 mptt -78.0 155.87 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 6' ' ' LEU . 37.8 tp -65.99 -31.66 72.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.853 173.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 p -77.75 -12.98 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.641 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.579 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 57.3 mm-40 -87.37 -6.5 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 3' ' ' LEU . 84.9 mt -76.85 176.81 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.593 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 7.7 ptpp? -126.8 170.94 11.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.825 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 113.69 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.17 -12.1 19.7 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.643 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.593 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 5.0 m-20 -69.02 141.89 54.73 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.14 0.495 . . . . 0.0 111.432 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -117.22 121.29 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.889 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -142.14 155.86 45.34 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.221 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' HD21 ' A' ' 74' ' ' LEU . 10.2 pt-20 -107.26 138.6 43.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 172.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.37 128.22 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.167 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -96.48 -41.85 8.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.236 0.541 . . . . 0.0 109.994 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 p -157.12 142.85 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.218 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.677 HG23 HG12 ' A' ' 69' ' ' ILE . 2.6 p -118.86 109.87 28.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.35 100.49 13.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.686 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.18 164.08 36.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.488 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -62.69 144.73 96.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -47.44 -48.19 15.93 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.608 2.872 . . . . 0.0 113.662 -175.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.09 83.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.77 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.19 -44.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' MET . 41.8 ttp180 -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.787 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 5.6 tpt180 -57.73 -45.0 86.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.984 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 89.0 mtt180 -58.62 -43.73 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.496 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.24 -39.32 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.6 mtp -67.21 -38.62 85.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.16 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.49 -34.19 77.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.099 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.0 mt -68.93 -39.33 79.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 109.985 176.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.71 -9.69 2.1 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.254 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.23 94.0 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.489 -175.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -139.03 178.57 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.39 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -57.63 119.46 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 0.0 110.627 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -10.68 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.157 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.61 127.11 31.85 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.782 0.291 . . . . 0.0 111.123 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.03 133.0 34.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.181 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 38' ' ' LEU . 3.1 pp -137.59 152.31 49.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 0.0 111.472 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.83 129.19 55.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.44 171.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.744 ' HA ' HG12 ' A' ' 52' ' ' VAL . 52.9 t -73.72 116.63 16.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 53' ' ' ASN . 91.3 mt -88.01 -57.53 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.278 -174.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -155.4 159.44 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.331 0.586 . . . . 0.0 110.847 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.79 149.93 39.15 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.072 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -68.54 166.4 26.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.644 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.8 Cg_endo -58.19 7.14 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.539 2.826 . . . . 0.0 114.19 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 44' ' ' ALA . 23.4 mt -131.11 -1.21 4.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.865 0.364 . . . . 0.0 110.281 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.81 -5.08 80.49 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.98 132.92 8.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.02 -175.24 16.33 Favored 'Cis proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.306 -1.539 . . . . 0.0 113.333 0.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -120.08 140.55 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.245 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -112.17 119.23 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 40' ' ' VAL . 27.2 m -128.56 159.58 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.027 0.442 . . . . 0.0 111.303 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.53 HD22 HD13 ' A' ' 58' ' ' LEU . 25.9 t-20 -110.71 101.76 10.37 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.47 126.15 55.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 m120 62.22 21.58 12.56 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.94 0.39 85.69 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.189 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.474 ' HB3' HD21 ' A' ' 59' ' ' LEU . 37.4 ttm -104.09 134.42 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.837 0.351 . . . . 0.0 110.103 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.53 HD13 HD22 ' A' ' 53' ' ' ASN . 2.8 mm? -76.77 106.52 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 57' ' ' MET . 6.8 mt -108.83 139.12 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -177.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.3 m -130.72 119.74 22.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.464 0.649 . . . . 0.0 110.796 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 174.19 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.254 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -91.05 168.46 11.63 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.112 0.482 . . . . 0.0 110.5 -175.748 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -65.23 -27.24 68.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.898 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -52.75 -45.65 67.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.758 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.1 mp0 -71.97 -44.09 64.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.217 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.34 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.416 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.66 -40.93 89.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.238 0.542 . . . . 0.0 110.551 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.84 -31.14 77.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.229 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.677 HG12 HG23 ' A' ' 17' ' ' VAL . 63.7 mt -80.41 121.38 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.099 0.476 . . . . 0.0 111.239 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 m -100.17 129.35 46.18 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 6' ' ' LEU . 33.8 m -127.75 166.8 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.07 0.462 . . . . 0.0 111.259 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -130.74 123.69 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.715 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 70.6 mt -67.1 134.19 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.195 0.521 . . . . 0.0 111.593 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 13' ' ' GLU . 81.7 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.861 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.887 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 10.8 mptt -80.37 155.81 27.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.044 0.45 . . . . 0.0 111.073 -177.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 6' ' ' LEU . 26.6 tp -65.33 -30.32 71.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.56 172.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 p -77.96 -14.5 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.868 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.887 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 52.6 mt-10 -84.69 -5.16 59.3 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.286 0.565 . . . . 0.0 110.631 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 3' ' ' LEU . 84.4 mt -76.72 168.41 20.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.763 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.536 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 28.1 mmtm -108.07 166.18 10.92 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 92.6 0.93 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.179 0.514 . . . . 0.0 110.243 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 -10.43 4.81 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.573 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.536 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 1.5 m-20 -70.78 134.89 47.78 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 111.184 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' HG2' HD12 ' A' ' 74' ' ' LEU . 30.3 ttm-85 -106.54 127.25 53.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.205 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.53 173.99 11.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.065 0.459 . . . . 0.0 111.239 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.645 ' HB2' HD21 ' A' ' 74' ' ' LEU . 44.6 tt0 -125.52 135.92 52.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.109 175.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.558 HG23 HD22 ' A' ' 38' ' ' LEU . 88.7 t -72.28 109.75 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.451 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 17.5 p -86.95 -30.44 21.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -161.27 149.51 15.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.636 0.255 . . . . 0.0 111.021 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.683 HG12 HG12 ' A' ' 69' ' ' ILE . 2.7 m -120.17 109.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.39 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.04 94.17 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.189 0.518 . . . . 0.0 111.229 -177.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.15 176.77 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.479 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.57 143.73 36.45 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 123.318 0.386 . . . . 0.0 110.106 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.44 -35.19 74.86 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 123.076 2.517 . . . . 0.0 112.516 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -69.0 -49.86 54.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 56.4 t -64.81 -43.78 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.336 0.589 . . . . 0.0 109.739 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HB3' ' HE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -54.05 -41.86 68.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.314 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -72.17 -45.86 58.73 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 95.5 mtt180 -59.01 -32.32 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.036 -177.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 93.3 mt -68.64 -46.07 70.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.356 -0.383 . . . . 0.0 109.977 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 27.5 mtm -65.8 -39.44 90.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -27.42 69.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.332 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 82.4 mt -76.6 -45.21 31.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.82 -0.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.427 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 4.9 tt -90.83 83.91 5.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 28' ' ' MET . 27.7 m -107.3 172.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.684 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD2' ' O ' ' A' ' 15' ' ' THR . 13.8 ttp85 -70.85 121.55 18.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -4.8 39.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.357 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 55' ' ' ASN . . . -75.28 132.02 40.74 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.763 -0.257 . . . . 0.0 110.622 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -92.69 129.9 38.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.583 ' CB ' ' HA ' ' A' ' 54' ' ' CYS . 2.4 pt? -137.05 164.89 27.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.063 0.458 . . . . 0.0 111.366 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -131.94 133.3 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.518 ' HA ' HG12 ' A' ' 52' ' ' VAL . 92.5 t -73.29 132.81 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.07 -56.05 2.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.734 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -158.02 156.66 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.501 ' CE2' HG11 ' A' ' 40' ' ' VAL . 76.2 m-85 -116.79 138.7 51.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.119 174.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -68.44 164.91 39.68 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 23.7 Cg_endo -61.08 6.35 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.774 0 C-N-CA 123.381 2.721 . . . . 0.0 114.163 -178.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.6 mt -132.22 11.71 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.25 19.62 70.53 Favored Glycine 0 C--N 1.332 0.347 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -172.77 128.89 0.56 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 114.72 -0.74 . . . . 0.0 109.099 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.04 -179.84 28.79 Favored 'Cis proline' 0 C--O 1.234 0.311 0 C-N-CA 123.321 -1.533 . . . . 0.0 113.164 -0.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.6 mt -121.08 135.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 -177.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.12 118.56 37.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 40' ' ' VAL . 27.5 m -131.98 149.28 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.059 0.457 . . . . 0.0 111.33 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 57' ' ' MET . 46.3 t-20 -102.95 100.85 10.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.583 ' HA ' ' CB ' ' A' ' 38' ' ' LEU . 51.6 t -101.45 107.04 18.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -174.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HB2' ' HB1' ' A' ' 36' ' ' ALA . 42.1 t30 63.14 31.24 15.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.507 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.76 22.1 21.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.536 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.489 ' HG2' HD22 ' A' ' 59' ' ' LEU . 33.8 ttp -138.22 129.41 27.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.534 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.71 110.32 22.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -134.74 134.32 40.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.239 0.543 . . . . 0.0 110.773 -177.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.1 m -102.18 120.92 41.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.172 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -136.26 179.51 6.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -91.85 159.93 15.55 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.029 0.443 . . . . 0.0 111.254 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HG2' ' HG2' ' A' ' 67' ' ' GLU . 70.2 ttt180 -65.45 -35.16 80.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.433 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -58.23 -30.13 66.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.125 0.488 . . . . 0.0 110.527 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.501 ' O ' HG13 ' A' ' 69' ' ' ILE . 29.9 mt-10 -75.61 -42.89 50.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.057 176.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.55 75.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.026 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 42.7 mm-40 -54.83 -43.86 73.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.191 0.52 . . . . 0.0 110.697 173.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.08 -28.5 73.79 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.394 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.683 HG12 HG12 ' A' ' 17' ' ' VAL . 76.9 mt -80.49 120.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.265 0.555 . . . . 0.0 111.065 -177.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.4 m -96.92 128.77 44.21 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.154 175.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.517 HG21 HD11 ' A' ' 6' ' ' LEU . 35.5 m -127.54 166.23 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.094 0.473 . . . . 0.0 111.153 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -128.09 126.74 41.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.972 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.86 132.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 111.069 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 13' ' ' GLU . 79.1 mt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.705 -178.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.418 ' HE1' HG12 ' A' ' 73' ' ' ILE . 54.0 ttp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.718 0.294 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.896 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 14.1 mptt -83.3 159.28 21.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 6' ' ' LEU . 46.1 tp -65.64 -29.76 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.489 171.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.2 p -75.46 -10.88 59.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.389 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.896 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 41.0 mt-10 -93.84 -9.03 38.69 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.849 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 3' ' ' LEU . 81.6 mt -69.27 163.29 25.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.087 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.634 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 5.5 ptpp? -132.93 24.91 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.52 137.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.374 0.607 . . . . 0.0 111.483 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.22 5.8 86.95 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.634 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 70.2 m-20 -102.69 126.67 49.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.058 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -102.61 120.45 40.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.655 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -138.97 155.86 47.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.96 -175.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -104.4 141.31 36.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.47 109.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.594 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 p -83.69 -36.39 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.631 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -155.88 127.63 7.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.416 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.803 HG23 HG12 ' A' ' 69' ' ' ILE . 2.9 p -108.99 109.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.293 0.568 . . . . 0.0 110.858 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.48 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.3 141.41 37.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.156 176.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -172.6 -176.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.674 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.19 144.53 99.05 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -47.58 -46.1 21.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.404 2.736 . . . . 0.0 112.964 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.99 75.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.309 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.489 HG11 ' HG2' ' A' ' 65' ' ' GLU . 53.8 t -70.92 -43.78 76.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.842 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.592 ' O ' ' HG3' ' A' ' 28' ' ' MET . 5.5 tmm_? -62.21 -37.64 86.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.901 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -66.5 -47.18 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.923 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 tmt_? -61.61 -40.33 94.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.742 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -65.22 -38.64 91.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.761 177.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.2 mtm -71.82 -31.37 66.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.519 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.77 -30.11 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 83.8 mt -72.08 -43.27 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.39 5.78 0.48 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.827 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tt -92.35 92.97 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.107 0.48 . . . . 0.0 109.862 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.99 -178.13 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.855 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -67.56 120.57 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.53 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.27 0.46 40.94 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.134 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.69 128.89 36.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.536 0.207 . . . . 0.0 110.797 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 10.8 mptt -95.65 126.01 40.63 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 3.4 pp -130.9 154.92 47.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 0.0 111.738 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -125.9 123.67 39.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.087 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HA ' HG12 ' A' ' 52' ' ' VAL . 62.4 t -67.69 116.47 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 53' ' ' ASN . 68.0 mt -79.75 -56.88 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 -175.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -169.18 164.69 11.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 91.8 m-85 -108.28 156.92 18.83 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.655 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -65.05 167.78 8.93 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 171.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.655 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 11.1 Cg_endo -54.0 -7.16 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.158 2.572 . . . . 0.0 113.749 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -132.09 19.61 4.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 0.0 110.177 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.617 ' HA2' ' HB3' ' A' ' 43' ' ' PHE . . . 82.72 -40.72 2.79 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.185 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.28 132.05 21.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.893 0.477 . . . . 0.0 110.16 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 5.0 Cg_exo -80.19 -178.66 23.62 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 124.112 -1.203 . . . . 0.0 113.288 0.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.521 HG12 ' HD1' ' A' ' 43' ' ' PHE . 57.2 mt -117.09 134.47 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.691 -176.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -94.66 117.69 30.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.51 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 40' ' ' VAL . 18.7 m -130.93 140.93 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.217 0.532 . . . . 0.0 111.633 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.539 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 26.8 t-20 -94.76 100.9 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.562 ' HB3' HD23 ' A' ' 59' ' ' LEU . 50.9 t -109.33 114.57 28.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -174.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 63.52 29.37 15.34 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.658 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.22 14.31 80.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.739 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.1 ttm -118.22 142.5 47.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.9 mt -82.75 111.62 18.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.703 0.287 . . . . 0.0 110.339 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 54' ' ' CYS . 3.9 mm? -113.85 147.12 38.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.266 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.2 m -127.69 119.56 26.09 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.446 ' CE ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -135.02 168.03 19.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.566 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.585 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 13.8 mmm-85 -94.5 163.6 13.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.806 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -64.74 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.558 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -61.0 -33.85 73.9 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.575 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HG2' HG11 ' A' ' 23' ' ' VAL . 1.3 mp0 -74.99 -35.08 62.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.133 0.492 . . . . 0.0 110.03 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.446 ' HB2' ' CE ' ' A' ' 61' ' ' MET . . . -66.67 -29.69 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.805 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.35 -37.92 88.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.721 0.296 . . . . 0.0 110.586 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.08 -30.33 75.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.427 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.803 HG12 HG23 ' A' ' 17' ' ' VAL . 56.1 mt -81.69 121.17 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.974 0.416 . . . . 0.0 111.267 -175.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.7 m -101.41 132.46 46.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 6' ' ' LEU . 35.4 m -126.84 159.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.114 0.483 . . . . 0.0 111.794 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -123.77 121.71 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.464 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' A' ' 12' ' ' ALA . 23.5 mm -64.65 126.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.161 0.505 . . . . 0.0 111.735 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.713 177.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 1.059 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 5.3 mptp? -72.81 152.88 41.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.541 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 6' ' ' LEU . 41.2 tp -65.32 -30.28 71.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.505 0.669 . . . . 0.0 109.327 171.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.5 t -76.46 -11.79 59.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.155 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 1.059 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 8.3 mm-40 -82.17 -14.6 55.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.651 0.263 . . . . 0.0 110.635 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 3' ' ' LEU . 89.0 mt -70.09 168.38 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 23.6 pttm -133.28 24.84 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -169.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 69.75 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.649 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.09 -7.62 64.6 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 26.9 m-20 -91.02 137.76 32.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.45 -178.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -113.68 125.1 53.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 173.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.43 156.82 47.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.274 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.805 ' HB2' HD21 ' A' ' 74' ' ' LEU . 35.7 tt0 -100.47 135.52 41.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.2 107.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.47 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.7 p -83.42 -34.78 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.172 0.511 . . . . 0.0 110.08 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -164.53 143.23 7.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.297 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.762 HG23 HG12 ' A' ' 69' ' ' ILE . 2.8 p -120.53 112.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.25 109.56 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.212 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.59 161.44 41.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.153 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.72 146.18 90.91 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -40.85 -52.91 3.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.951 3.101 . . . . 0.0 113.686 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.01 98.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.632 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 86.8 t -71.87 -42.02 69.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.618 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 28' ' ' MET . 6.2 tmm_? -63.33 -39.51 94.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.49 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 25' ' ' ARG . 15.4 ttp180 -72.6 -38.04 67.94 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.0 ttt-85 -58.5 -43.93 89.23 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.396 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 94.5 mt -64.12 -39.29 93.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.5 mtm -69.54 -34.36 74.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.785 0.326 . . . . 0.0 110.433 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -66.13 -28.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.07 -39.93 48.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.205 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.69 3.23 0.71 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.851 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.0 tt -92.18 97.39 10.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.981 0.42 . . . . 0.0 109.887 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.18 176.8 8.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.468 HH21 ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -69.25 116.23 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.478 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 105.81 -0.96 38.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.082 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.3 143.75 42.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.747 0.308 . . . . 0.0 110.599 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -104.22 120.49 41.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.2 pp -120.43 146.47 46.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.323 0.583 . . . . 0.0 111.406 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -123.03 120.28 32.86 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.708 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 8' ' ' ALA . 94.1 t -71.67 114.57 10.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.747 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -80.18 -49.15 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 44.8 ttt-85 -173.02 161.58 4.43 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.463 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 98.3 m-85 -115.22 144.54 43.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.574 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.29 166.12 11.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 24.5 Cg_endo -61.16 5.17 0.18 Allowed 'Trans proline' 0 N--CA 1.48 0.702 0 C-N-CA 123.107 2.538 . . . . 0.0 113.888 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.4 mt -133.43 6.28 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.715 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.88 4.82 86.19 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.135 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -149.83 126.2 5.21 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.33 -174.69 14.83 Favored 'Cis proline' 0 C--O 1.237 0.425 0 C-N-CA 123.559 -1.434 . . . . 0.0 113.61 1.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.443 HG22 HG13 ' A' ' 52' ' ' VAL . 68.3 mt -123.62 133.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.472 -177.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -101.12 117.21 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.659 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 40' ' ' VAL . 30.1 m -132.27 149.1 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 5.1 t30 -106.0 106.93 17.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.583 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.8 t -107.14 111.62 24.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.496 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 56.41 27.97 12.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.707 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.46 -2.8 63.11 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.282 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -100.78 130.59 46.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.062 0.431 . . . . 0.0 110.291 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.55 103.19 12.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -105.29 133.04 50.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.185 -175.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.5 m -102.77 119.89 39.63 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.3 mtm -130.49 169.15 15.93 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.43 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -95.75 175.07 6.66 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.767 177.772 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -65.25 -33.79 76.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -53.94 -49.83 67.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.148 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 69' ' ' ILE . 15.2 mp0 -62.85 -47.91 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.511 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.42 73.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.303 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 5.9 mm-40 -65.62 -41.46 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.221 0.534 . . . . 0.0 110.342 175.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.03 -31.08 74.5 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.722 -0.672 . . . . 0.0 113.067 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.762 HG12 HG23 ' A' ' 17' ' ' VAL . 61.7 mt -77.59 129.55 37.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.119 0.485 . . . . 0.0 111.885 -175.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -103.37 120.08 40.12 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.475 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.7 m -122.95 167.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.746 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -133.91 123.39 24.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.463 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.91 128.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.164 0.507 . . . . 0.0 111.415 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 13' ' ' GLU . 96.2 mt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.667 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.928 0.394 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.906 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.1 mptt -81.97 158.78 23.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 -173.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.581 HD12 HD12 ' A' ' 6' ' ' LEU . 43.2 tp -65.81 -28.92 69.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.657 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -74.95 -20.74 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.649 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.906 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 54.4 mt-10 -87.0 -2.71 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.952 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.768 HD22 HD11 ' A' ' 73' ' ' ILE . 29.3 mt -71.58 175.95 5.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.7 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -121.07 161.62 21.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 108.59 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.493 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -3.32 25.83 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.019 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -80.58 137.95 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.792 0.329 . . . . 0.0 111.105 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -100.91 131.73 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.611 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.95 159.37 42.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.185 0.516 . . . . 0.0 111.53 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.523 ' HB2' HD21 ' A' ' 74' ' ' LEU . 40.7 tt0 -116.99 128.09 54.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.58 123.69 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.791 0.329 . . . . 0.0 110.961 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 p -103.45 -28.24 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' THR . 60.2 m -154.69 144.29 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.625 0.25 . . . . 0.0 111.044 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.424 HG13 HG12 ' A' ' 69' ' ' ILE . 22.4 t -128.67 128.95 68.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.513 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.52 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -134.27 118.82 17.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.737 0.303 . . . . 0.0 110.565 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.39 177.7 10.97 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -59.6 145.34 83.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -45.39 -52.03 7.15 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.711 2.941 . . . . 0.0 113.971 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.08 59.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 0.0 111.086 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.95 -42.24 46.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -63.8 -38.94 92.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.519 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -56.02 -47.67 77.39 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 174.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -60.89 -43.8 97.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.77 -48.57 78.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.688 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.611 ' SD ' HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -69.73 -29.24 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.962 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.9 -41.49 91.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.23 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.3 -63.51 1.05 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.993 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 163.87 30.76 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -105.57 87.64 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.611 HG12 ' SD ' ' A' ' 28' ' ' MET . 35.5 m -132.59 179.55 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -67.45 117.59 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 -3.45 49.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.133 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.19 130.77 39.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -108.56 126.66 53.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.656 -175.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -136.16 165.3 26.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.211 0.529 . . . . 0.0 111.741 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -127.55 129.15 46.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.861 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.798 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.3 t -69.64 129.61 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.108 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.838 HD11 HD22 ' A' ' 58' ' ' LEU . 86.1 mt -92.77 -59.48 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.146 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -166.69 161.95 16.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.086 0.469 . . . . 0.0 110.254 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' HD1' HG12 ' A' ' 50' ' ' ILE . 75.6 m-85 -113.79 150.99 32.64 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -71.29 164.22 59.15 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 28.9 Cg_endo -62.13 6.1 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.6 0 C-N-CA 123.348 2.699 . . . . 0.0 114.125 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.65 6.28 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.42 6.77 86.81 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.694 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -151.12 124.99 4.38 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.84 -176.51 14.86 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.596 -1.418 . . . . 0.0 112.828 -0.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.476 HG22 HG13 ' A' ' 52' ' ' VAL . 61.1 mt -118.99 134.32 62.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.298 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.05 118.83 37.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.6 m -136.86 144.07 33.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.754 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -88.94 101.11 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 38.0 t -114.58 121.62 44.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.38 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 64.38 25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.789 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.89 -7.4 67.53 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.006 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.509 ' HB2' HD21 ' A' ' 59' ' ' LEU . 62.1 mtm -113.23 137.84 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.843 0.322 . . . . 0.0 111.023 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.838 HD22 HD11 ' A' ' 41' ' ' LEU . 43.7 mt -75.3 101.95 4.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 57' ' ' MET . 9.6 mt -100.83 152.14 20.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -176.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.5 m -134.9 120.21 18.99 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.235 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.58 173.4 11.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.147 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.485 ' HD3' ' N ' ' A' ' 62' ' ' ARG . 1.0 OUTLIER -90.71 165.77 13.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.264 0.554 . . . . 0.0 111.167 -175.484 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -65.07 -27.52 68.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.731 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.415 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 25.9 m-20 -54.12 -46.25 72.11 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.304 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.5 mp0 -68.11 -49.19 62.75 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.468 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.18 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.079 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.104 0.478 . . . . 0.0 110.755 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.52 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.93 -20.33 72.49 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.141 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 65' ' ' GLU . 43.5 mt -92.34 124.83 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.259 0.552 . . . . 0.0 111.12 -176.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 16' ' ' SER . 56.7 m -99.52 129.31 45.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.204 175.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.56 HG21 HD11 ' A' ' 6' ' ' LEU . 32.7 m -125.46 163.06 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.991 0.424 . . . . 0.0 111.325 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -126.76 124.5 39.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.547 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.768 HD11 HD22 ' A' ' 6' ' ' LEU . 21.9 mm -64.94 128.75 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -178.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 13' ' ' GLU . 85.7 mt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.422 ' HG3' ' OE1' ' A' ' 5' ' ' GLU . 37.5 ttp . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.784 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 5.3 mptp? -77.89 152.63 33.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.021 0.438 . . . . 0.0 111.286 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 6' ' ' LEU . 34.7 tp -65.31 -30.18 71.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.288 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -77.17 -13.39 59.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.241 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.784 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 61.3 mt-10 -93.47 -0.72 56.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.411 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 3' ' ' LEU . 43.3 mt -78.95 179.29 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 111.856 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.9 157.6 44.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.709 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 111.74 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.337 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.12 -6.2 21.68 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.174 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 152.79 27.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.615 0.245 . . . . 0.0 110.508 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -131.31 124.11 29.75 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.59 163.24 33.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.414 . . . . 0.0 111.516 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -111.9 128.22 56.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 49.3 t -68.93 125.74 27.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.052 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.466 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 16.3 p -103.67 -20.93 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.756 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.1 t -165.04 136.04 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 110.898 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.682 HG13 HG12 ' A' ' 69' ' ' ILE . 21.5 t -112.38 108.77 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.577 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.27 131.72 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.853 0.359 . . . . 0.0 110.761 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.84 -178.48 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.29 143.45 79.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -45.73 -48.31 12.43 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.495 2.797 . . . . 0.0 113.34 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.78 62.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.79 0.328 . . . . 0.0 111.412 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.63 -40.16 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.201 0.524 . . . . 0.0 110.432 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' MET . 23.2 ttm180 -57.3 -51.68 68.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.478 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -72.4 -26.08 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.102 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 18.8 ttt180 -62.28 -40.62 96.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 ' HG2' ' A' ' 65' ' ' GLU . 84.1 mt -75.07 -38.88 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 94.7 mtp -65.55 -40.86 93.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.201 0.524 . . . . 0.0 110.403 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -26.22 66.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.639 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.5 mt -71.17 -41.43 70.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.0 1.28 0.71 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.434 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.54 87.94 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.2 m -133.26 -176.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' HA ' ' A' ' 15' ' ' THR . 11.1 ttm180 -64.18 124.66 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.7 -9.03 47.63 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -70.68 113.55 7.89 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -93.96 117.21 29.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.8 pp -129.05 156.57 43.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.291 0.567 . . . . 0.0 112.13 -173.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -124.38 128.26 48.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.426 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.6 t -72.92 122.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.2 mt -82.49 -65.98 0.94 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.279 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -153.47 163.41 40.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.435 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -107.04 145.28 32.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.332 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.53 163.23 28.24 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 24.4 Cg_endo -61.62 6.11 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.19 2.593 . . . . 0.0 114.078 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -132.59 10.88 4.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 0.0 110.062 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.87 13.78 78.67 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.946 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -168.57 129.09 1.06 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.822 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 90.6 Cg_endo -80.5 -168.13 6.56 Favored 'Cis proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.549 -1.438 . . . . 0.0 113.575 0.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.0 mt -124.89 138.84 52.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.534 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.4 118.06 36.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.2 m -126.83 138.63 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.148 0.499 . . . . 0.0 111.24 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 22.0 t-20 -92.93 101.3 13.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.576 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 48.2 t -105.82 113.24 26.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 65.57 21.4 11.72 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.759 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.87 72.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.473 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.0 ttp -118.29 141.25 48.71 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 112.14 19.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.111 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 54' ' ' CYS . 3.6 mm? -114.03 145.33 41.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.2 m -135.14 120.46 19.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.636 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.49 ' CE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -140.96 165.94 26.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -178.076 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.822 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 11.7 mmm-85 -92.03 165.62 13.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.248 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -63.78 -35.83 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.216 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.03 -28.01 68.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.734 0.302 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.591 ' HG2' HD11 ' A' ' 27' ' ' LEU . 2.6 mp0 -75.53 -47.87 25.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 171.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.49 ' HB2' ' CE ' ' A' ' 61' ' ' MET . . . -60.2 -29.74 68.92 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 4.3 mm-40 -65.13 -45.33 85.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 175.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.577 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.11 -34.28 85.9 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.568 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 17' ' ' VAL . 53.6 mt -74.33 125.38 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.087 0.47 . . . . 0.0 110.716 -177.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.5 m -113.64 126.32 55.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.19 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.428 HG21 HD11 ' A' ' 6' ' ' LEU . 29.3 m -119.68 157.29 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.124 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -109.48 127.0 54.11 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.13 124.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.446 0.641 . . . . 0.0 112.537 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.614 175.722 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.814 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 9.5 mptt -91.83 153.4 19.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 6' ' ' LEU . 41.9 tp -65.43 -29.84 70.57 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.997 174.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 p -74.19 -15.52 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.405 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.814 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 80.0 mt-10 -88.77 -14.75 36.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.926 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 3' ' ' LEU . 17.1 mt -62.76 167.0 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.374 0.607 . . . . 0.0 111.818 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -111.31 160.54 16.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.951 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.18 104.38 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.916 0.388 . . . . 0.0 110.418 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.39 -5.75 21.28 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.831 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 146.7 29.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.511 . . . . 0.0 111.569 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -111.81 128.48 56.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.878 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.14 167.0 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 112.383 -175.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.642 ' HB2' HD21 ' A' ' 74' ' ' LEU . 4.5 tp10 -111.56 133.45 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.588 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 38' ' ' LEU . 85.3 t -77.32 109.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.111 176.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 p -89.17 -41.31 12.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 110.508 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -154.68 106.26 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.115 0.483 . . . . 0.0 110.655 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.878 HG23 HG12 ' A' ' 69' ' ' ILE . 2.4 p -86.68 109.81 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.252 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.93 140.83 38.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.943 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.67 -176.92 1.33 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 tp10 -58.88 143.13 83.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.54 ' HD2' ' HG3' ' A' ' 20' ' ' GLU . 4.1 Cg_endo -50.08 -43.42 42.42 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.767 2.311 . . . . 0.0 112.34 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -41.44 85.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.484 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -73.36 -44.46 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.327 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 24' ' ' ARG . 19.3 ttp85 -59.61 -42.67 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.055 178.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -57.95 -45.5 86.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.474 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 62.9 ttt180 -65.68 -46.41 79.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.617 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.1 -46.48 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.2 mtp -64.75 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.796 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.89 -30.24 63.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.3 mt -71.79 -44.05 64.63 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.19 -9.69 0.44 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.969 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -79.7 89.53 5.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.375 0.607 . . . . 0.0 109.836 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.87 179.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.901 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -66.11 114.92 5.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.13 37.46 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.252 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.4 114.12 14.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.66 0.266 . . . . 0.0 110.807 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.65 127.23 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 14' ' ' VAL . 2.5 pt? -137.68 156.86 47.56 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.239 0.542 . . . . 0.0 111.278 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -132.38 132.68 43.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.957 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -73.8 116.0 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.911 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 58' ' ' LEU . 75.2 mt -78.98 -55.48 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.794 -175.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -168.88 163.22 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.435 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -108.26 151.4 26.01 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -67.62 166.02 25.6 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 173.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.1 Cg_endo -59.66 5.28 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 123.295 2.664 . . . . 0.0 114.382 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.03 12.63 4.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 4.92 75.01 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.14 -0.552 . . . . 0.0 111.79 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -160.88 132.24 3.94 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 85.6 Cg_endo -77.45 -168.21 6.69 Favored 'Cis proline' 0 C--O 1.236 0.383 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.604 1.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.482 HD11 ' HG3' ' A' ' 63' ' ' ARG . 46.9 mt -128.31 139.05 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 -176.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -96.67 123.08 40.25 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.37 140.85 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 111.501 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' A' ' 41' ' ' LEU . 45.4 t-20 -95.85 101.58 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 59' ' ' LEU . 47.5 t -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.411 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 58.9 29.7 19.2 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.939 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.02 63.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.682 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.7 mtm -108.94 138.9 44.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.817 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 41' ' ' LEU . 56.7 mt -95.56 104.47 16.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.924 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -127.8 133.16 49.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.55 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 m -104.48 121.61 43.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.921 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.11 175.96 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.165 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.532 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 3.5 mmm180 -89.88 150.59 22.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.415 -174.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HG3' HD11 ' A' ' 50' ' ' ILE . 57.9 ttt-85 -62.99 -32.49 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.053 -175.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.677 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 4.2 mm-40 -73.58 -40.8 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.701 . . . . 0.0 109.253 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 69' ' ' ILE . . . -66.1 -25.24 66.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.802 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.97 -43.91 97.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.076 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.85 -30.54 76.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.331 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.878 HG12 HG23 ' A' ' 17' ' ' VAL . 51.2 mt -74.46 117.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -98.32 123.34 42.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.865 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.7 m -126.1 164.74 25.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.699 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -131.46 126.84 36.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.7 mt -61.2 129.41 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 13' ' ' GLU . 83.8 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.945 -178.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.887 0.375 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.873 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -84.58 155.08 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -175.684 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 6' ' ' LEU . 36.1 tp -65.7 -31.54 72.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.75 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 7.1 p -76.34 -14.47 60.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.766 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.873 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 91.6 mt-10 -87.31 -6.67 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 3' ' ' LEU . 76.2 mt -72.26 164.69 25.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.73 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -132.62 31.82 3.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.47 136.85 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.59 0.756 . . . . 0.0 112.065 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.06 -7.82 76.21 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.871 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 23.5 m-20 -79.76 134.68 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.177 0.191 . . . . 0.0 110.995 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.14 119.6 39.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -134.54 142.71 47.08 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.455 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' OE1' ' HE2' ' A' ' 37' ' ' LYS . 35.6 tt0 -91.58 131.79 36.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.273 174.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 86.0 t -79.49 115.28 21.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.127 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.427 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 14.7 p -97.87 -34.46 10.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.406 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -154.03 146.09 23.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.734 HG13 HG12 ' A' ' 69' ' ' ILE . 41.7 t -125.7 113.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.497 -177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.58 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -104.9 118.45 36.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.35 177.39 11.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.365 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.53 141.53 97.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.03 -46.66 15.69 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.385 2.723 . . . . 0.0 113.664 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.69 -39.66 57.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.91 0.386 . . . . 0.0 111.097 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.15 -37.7 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.87 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -57.68 -47.6 81.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.828 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -66.72 -32.34 73.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.513 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 79.1 ttt180 -63.52 -42.88 98.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.104 0.478 . . . . 0.0 109.807 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.16 -45.61 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.169 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.4 mtp -62.38 -44.92 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.838 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.52 -41.12 72.7 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.365 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 93.9 mt -69.01 -37.37 78.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.81 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 0.68 1.0 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.188 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -82.87 90.97 7.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.172 0.511 . . . . 0.0 109.911 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -135.71 -176.56 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.415 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 37.2 ttm180 -68.21 129.51 40.14 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.736 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.31 -14.59 54.72 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.78 132.98 46.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.545 ' HE2' ' OE1' ' A' ' 13' ' ' GLU . 86.3 mttt -123.98 117.52 24.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 -175.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.563 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.1 pp -123.14 164.9 17.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.956 -169.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 30.0 ttpt -122.03 128.06 50.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.47 172.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.616 ' HA ' HG12 ' A' ' 52' ' ' VAL . 66.3 t -68.59 118.41 12.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.098 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.84 -61.65 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.632 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -167.12 163.52 15.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.03 0.443 . . . . 0.0 110.397 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -106.59 146.92 30.09 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.41 165.39 14.47 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.5 Cg_endo -60.76 5.46 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.097 2.531 . . . . 0.0 114.299 -176.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -134.17 11.4 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.786 0.327 . . . . 0.0 110.692 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.45 -6.81 71.05 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.348 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.92 134.63 9.71 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -80.08 -173.35 12.49 Favored 'Cis proline' 0 C--O 1.237 0.43 0 C-N-CA 123.895 -1.294 . . . . 0.0 113.066 1.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.9 mt -121.49 135.84 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.193 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.51 124.63 50.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.6 m -134.38 149.53 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.69 101.69 11.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.563 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 42.3 t -105.18 109.35 21.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.93 -176.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 61.79 30.61 18.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.551 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -6.68 67.33 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.446 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -99.03 128.69 45.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 0.0 110.488 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.72 109.92 22.13 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -135.03 139.55 44.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 111.453 -176.872 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.3 m -110.78 129.13 55.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.148 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.14 176.82 8.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.53 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -84.01 151.88 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -57.67 -29.62 64.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.889 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -54.65 -44.04 72.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.562 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.6 mp0 -72.47 -40.9 66.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.779 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' A' ' 4' ' ' SER . . . -62.98 -31.51 72.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.45 -177.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 27.1 mm-40 -62.04 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.202 0.525 . . . . 0.0 110.381 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.58 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.52 -34.17 83.52 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.927 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HG13 ' A' ' 17' ' ' VAL . 57.7 mt -74.09 123.17 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.113 0.483 . . . . 0.0 111.026 -176.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -100.66 122.03 42.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.584 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.503 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 26.8 m -122.01 161.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -176.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -127.2 117.29 22.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.45 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.66 127.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.939 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 110.89 -178.416 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.441 ' HA ' ' OE1' ' A' ' 5' ' ' GLU . 26.8 ttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.944 0.402 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -91.79 157.61 16.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -171.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 6' ' ' LEU . 27.8 tp -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.61 0.719 . . . . 0.0 109.2 169.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 4.7 t -74.71 -12.52 60.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.072 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 51.6 tt0 -99.33 0.34 42.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.936 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 3' ' ' LEU . 71.7 mt -79.45 172.02 14.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 176.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -115.51 159.18 21.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.327 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 102.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 110.286 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.4 -12.31 7.97 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.724 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.92 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.098 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -130.24 127.93 40.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.632 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.68 165.76 30.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.692 0.282 . . . . 0.0 111.283 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 8.6 pt-20 -107.84 145.87 33.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.615 HG11 HG22 ' A' ' 17' ' ' VAL . 74.2 t -81.11 119.34 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.949 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.9 p -92.06 -30.98 15.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -154.58 136.67 14.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.766 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.615 HG22 HG11 ' A' ' 14' ' ' VAL . 20.6 t -111.11 108.72 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.506 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.28 117.73 34.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 110.158 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.91 172.49 13.91 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 4.2 tm-20 -61.18 140.79 94.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 2.1 Cg_endo -49.39 -40.14 44.3 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.886 2.39 . . . . 0.0 113.022 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.42 82.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.046 0.451 . . . . 0.0 110.797 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.647 HG11 ' HG3' ' A' ' 65' ' ' GLU . 84.8 t -69.47 -40.28 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.133 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.35 -47.16 82.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.993 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -58.03 -43.47 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -65.79 -38.45 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.964 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -69.77 -44.07 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.904 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.6 mtp -62.25 -32.99 73.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.836 175.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -89.05 15.88 7.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.875 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.83 12.41 83.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.052 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tt -87.95 87.92 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.329 0.585 . . . . 0.0 109.543 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.33 -173.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.324 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -70.15 118.11 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.018 0.437 . . . . 0.0 110.36 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.95 -4.06 52.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.903 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.59 119.76 16.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.155 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 38.7 mttp -98.86 122.45 42.11 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.9 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 38' ' ' LEU . 2.4 pt? -133.78 155.08 50.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.35 0.595 . . . . 0.0 111.388 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -114.27 127.47 55.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.891 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.66 110.72 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 53' ' ' ASN . 86.0 mt -79.92 -62.02 1.81 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.939 -174.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -154.67 150.04 27.22 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.064 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -101.26 148.39 25.17 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -63.56 161.28 36.46 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 23.4 Cg_endo -60.95 5.56 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.992 2.461 . . . . 0.0 113.918 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 44' ' ' ALA . 64.8 mt -131.69 12.14 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.759 0.314 . . . . 0.0 110.38 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.38 -14.07 52.29 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.405 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.63 138.11 12.46 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -81.01 -169.91 8.05 Favored 'Cis proline' 0 C--O 1.235 0.372 0 C-N-CA 124.016 -1.243 . . . . 0.0 112.896 -0.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.732 HD11 ' HG3' ' A' ' 63' ' ' ARG . 43.3 mt -121.28 138.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.293 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -105.75 114.04 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.066 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.435 ' HB ' HD12 ' A' ' 38' ' ' LEU . 21.8 m -120.76 144.26 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.167 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.437 ' HB2' HD11 ' A' ' 41' ' ' LEU . 39.7 t30 -101.84 100.86 11.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.524 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.03 119.44 38.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.88 27.98 16.9 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.045 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.29 16.22 59.35 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 mtm -123.46 132.4 53.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.87 102.14 13.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.201 0.524 . . . . 0.0 110.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.33 126.67 54.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.068 -177.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.4 m -101.41 121.24 41.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.684 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -139.39 169.88 16.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.574 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -75.29 147.01 40.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 110.955 -174.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.732 ' HG3' HD11 ' A' ' 50' ' ' ILE . 64.4 ttt180 -65.28 -30.59 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.715 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -60.01 -40.65 89.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.647 ' HG3' HG11 ' A' ' 23' ' ' VAL . 11.9 mm-40 -75.68 -31.09 59.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.389 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 4' ' ' SER . . . -61.73 -26.71 68.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.297 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -64.34 -44.71 90.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.616 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.11 -26.59 72.47 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.172 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.54 HG12 HG13 ' A' ' 17' ' ' VAL . 50.1 mt -74.84 115.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.187 0.517 . . . . 0.0 110.399 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -94.74 133.4 38.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.596 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.518 HG21 HD11 ' A' ' 6' ' ' LEU . 27.4 m -129.13 167.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.635 0.731 . . . . 0.0 112.214 -174.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -133.47 120.37 20.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.185 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' HE1' ' A' ' 1' ' ' MET . 61.3 mt -66.97 126.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 111.48 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.572 -179.167 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.666 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -92.87 157.48 16.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.097 0.475 . . . . 0.0 112.172 -176.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 6' ' ' LEU . 29.3 tp -66.28 -34.83 78.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.034 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 66' ' ' ALA . 55.4 m -74.89 -13.46 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.639 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.666 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 59.3 mt-10 -88.11 -3.93 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.091 0.472 . . . . 0.0 110.442 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 3' ' ' LEU . 76.4 mt -79.1 178.1 8.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.76 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -123.68 159.76 28.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.328 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.31 109.77 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.461 . . . . 0.0 110.147 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.3 -21.67 6.8 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.699 -175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -79.34 142.44 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 111.154 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.582 ' HB3' HD12 ' A' ' 74' ' ' LEU . 80.0 mtm180 -108.6 147.39 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.206 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -149.27 161.43 42.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.896 0.379 . . . . 0.0 111.565 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HB2' HD21 ' A' ' 74' ' ' LEU . 39.1 tt0 -113.03 125.31 54.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.95 121.95 20.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.729 0.299 . . . . 0.0 111.015 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 p -98.1 -36.52 10.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -158.84 137.14 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.877 HG23 HG12 ' A' ' 69' ' ' ILE . 6.1 p -117.08 135.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.532 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.569 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -133.85 114.5 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.143 0.496 . . . . 0.0 110.711 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB1' ' OE2' ' A' ' 65' ' ' GLU . . . -154.35 -178.75 7.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.58 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.46 143.87 95.79 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.43 -48.81 18.6 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.894 2.396 . . . . 0.0 112.673 -174.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.53 83.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.52 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.758 HG11 ' HG3' ' A' ' 65' ' ' GLU . 74.3 t -75.42 -39.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.152 0.501 . . . . 0.0 110.174 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.36 -48.29 82.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.11 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.79 -37.32 84.32 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.605 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.587 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 70.9 mtt85 -55.69 -43.34 76.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.354 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.45 -41.46 89.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.0 mtp -65.69 -37.66 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.25 -33.01 63.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 80.5 mt -66.97 -41.02 87.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.99 18.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.892 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -104.02 93.5 4.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.155 0.502 . . . . 0.0 109.951 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.56 -173.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.566 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -71.31 127.94 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.81 -0.77 67.63 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.862 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -76.03 127.76 33.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 110.386 176.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HB3' HD11 ' A' ' 74' ' ' LEU . 91.5 mttt -102.03 127.09 49.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.854 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.424 HD12 ' HB ' ' A' ' 52' ' ' VAL . 2.1 pt? -138.6 154.46 48.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -176.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -112.97 130.1 56.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.422 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.628 ' HA ' HG12 ' A' ' 52' ' ' VAL . 58.4 t -70.8 116.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 53' ' ' ASN . 85.8 mt -86.51 -65.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.29 -174.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -149.78 156.36 41.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 110.844 -175.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.88 147.75 28.37 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 172.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -67.6 165.35 30.94 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 16.7 Cg_endo -58.27 5.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.222 2.615 . . . . 0.0 114.182 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.4 mt -132.8 7.32 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.906 0.384 . . . . 0.0 110.373 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.45 2.85 69.53 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.72 127.69 3.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.76 -171.92 10.47 Favored 'Cis proline' 0 CA--C 1.534 0.493 0 C-N-CA 124.241 -1.149 . . . . 0.0 113.836 2.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -124.19 139.55 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.85 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -106.26 122.46 46.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.5 m -128.84 142.03 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.818 0.342 . . . . 0.0 111.068 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.571 ' HB2' HD11 ' A' ' 41' ' ' LEU . 54.3 t-20 -97.11 103.36 15.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.427 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 48.5 t -111.04 116.46 31.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.77 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 60.87 25.33 15.26 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.06 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.16 62.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.428 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 mtm -115.64 126.58 54.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.797 0.332 . . . . 0.0 110.215 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 58' ' ' LEU . 6.6 mp -84.06 113.49 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.884 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 30' ' ' LEU . 1.1 mt -112.8 135.38 53.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.558 -175.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.3 m -112.63 126.31 55.23 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.436 ' HE2' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -147.52 167.83 23.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.344 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -77.9 143.7 37.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -173.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 3.9 ttt85 -57.41 -36.75 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.406 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.598 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 2.0 p-10 -58.42 -32.65 68.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.758 ' HG3' HG11 ' A' ' 23' ' ' VAL . 4.3 mm-40 -76.07 -36.29 59.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.274 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 69' ' ' ILE . . . -62.99 -31.35 72.46 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 176.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.598 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 47.9 mt-10 -65.34 -35.58 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.089 0.471 . . . . 0.0 110.118 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.72 -20.28 73.99 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.786 173.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.877 HG12 HG23 ' A' ' 17' ' ' VAL . 70.7 mt -87.37 127.43 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.344 0.592 . . . . 0.0 111.459 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -103.63 124.17 48.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.573 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.483 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 30.2 m -127.79 159.3 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 0.0 111.506 -176.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -116.83 119.47 35.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.5 mt -60.24 136.83 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.594 -174.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 11' ' ' ARG . 86.6 mt . . . . . 0 C--O 1.234 0.281 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.032 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.711 0.291 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.697 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 2.4 mppt? -94.27 159.75 14.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.886 0.374 . . . . 0.0 111.473 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 6' ' ' LEU . 54.9 tp -65.43 -30.86 71.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.836 174.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.2 p -76.57 -11.14 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.116 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.697 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -90.2 -10.47 44.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.158 0.504 . . . . 0.0 109.838 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 3' ' ' LEU . 74.6 mt -75.77 172.01 13.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.908 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -122.76 169.87 10.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.96 111.82 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.073 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.18 -14.3 33.62 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.373 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HA ' HH21 ' A' ' 11' ' ' ARG . 2.3 m-20 -74.57 132.4 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.142 0.496 . . . . 0.0 111.086 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.79 138.19 40.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.586 -178.333 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.88 162.88 40.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.096 0.474 . . . . 0.0 111.795 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.727 ' HB2' HD21 ' A' ' 74' ' ' LEU . 41.2 tt0 -111.45 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.256 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.707 ' HA ' HG12 ' A' ' 71' ' ' VAL . 66.5 t -76.41 113.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.288 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.478 HG23 ' CE1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -90.07 -26.45 20.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.172 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -165.77 154.03 11.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG13 HG12 ' A' ' 69' ' ' ILE . 50.0 t -126.86 109.97 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.018 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.502 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.42 102.52 14.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 177.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.48 174.54 14.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.386 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.0 tm-20 -57.65 141.99 78.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.962 0.788 . . . . 0.0 108.986 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.594 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 3.2 Cg_exo -44.35 -51.12 7.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.302 2.668 . . . . 0.0 113.169 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' OE1' ' A' ' 20' ' ' GLU . . . -69.9 -44.13 70.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.453 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 79.1 t -63.89 -42.67 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.201 0.524 . . . . 0.0 110.236 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -61.17 -52.13 66.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.889 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -72.1 -25.88 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 40.4 ttt-85 -64.67 -46.52 82.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 92.3 mt -62.6 -41.65 99.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.63 ' HB3' HG12 ' A' ' 33' ' ' VAL . 47.4 mtm -63.0 -37.96 89.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.23 -33.45 76.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.757 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 95.2 mt -71.86 -33.65 68.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.439 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.18 -3.31 1.45 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.812 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' A' ' 28' ' ' MET . 3.2 tt -94.56 83.84 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 0.0 109.967 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG12 ' HB3' ' A' ' 28' ' ' MET . 33.2 m -109.65 178.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.263 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -72.44 115.19 11.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 0.58 37.12 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.886 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.86 146.0 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.3 . . . . 0.0 110.726 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -114.83 127.7 55.87 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -142.54 169.71 17.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.662 0.744 . . . . 0.0 112.799 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 11' ' ' ARG . 35.9 ttpt -130.84 132.42 45.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.236 172.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.1 t -69.61 119.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.5 mt -81.16 -64.43 1.19 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.531 -177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -151.33 152.31 32.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.457 0.646 . . . . 0.0 111.117 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -107.21 131.13 54.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 168.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -57.33 159.08 9.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 123.169 0.293 . . . . 0.0 110.23 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.477 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 25.0 Cg_endo -60.94 6.55 0.12 Allowed 'Trans proline' 0 N--CA 1.479 0.627 0 C-N-CA 123.374 2.716 . . . . 0.0 113.83 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 44' ' ' ALA . 80.0 mt -132.28 13.65 4.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.909 0.385 . . . . 0.0 110.102 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.61 14.29 72.25 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.463 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -174.63 132.83 0.5 Allowed Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.86 -175.43 16.38 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.567 -1.43 . . . . 0.0 113.144 1.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.7 mt -120.69 135.12 61.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -111.12 124.78 52.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.43 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 40' ' ' VAL . 28.7 m -132.2 146.51 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.745 0.307 . . . . 0.0 111.039 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -97.87 104.33 16.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 49.1 t -108.82 110.49 21.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.944 -175.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.89 28.94 16.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.81 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.91 -4.56 65.72 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.926 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -106.41 123.29 47.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.833 0.349 . . . . 0.0 110.065 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.21 107.87 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mt -105.74 150.91 25.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.65 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.7 m -133.87 120.41 20.39 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.626 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.51 178.85 6.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.933 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -89.18 158.92 17.72 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.087 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -52.88 -40.67 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.531 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 3.5 p-10 -64.33 -30.61 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 -177.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 69' ' ' ILE . 65.0 mm-40 -71.28 -39.49 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.413 . . . . 0.0 109.996 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.17 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.929 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 49.7 mt-10 -65.56 -38.12 88.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 174.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.6 -36.28 87.73 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.556 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.699 HG12 HG13 ' A' ' 17' ' ' VAL . 52.8 mt -74.71 120.37 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.164 0.507 . . . . 0.0 111.215 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -100.93 128.9 46.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.455 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 14' ' ' VAL . 33.2 m -136.17 160.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 0.0 111.229 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.478 ' CE1' HG23 ' A' ' 15' ' ' THR . 22.9 p-80 -120.51 130.93 54.47 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 171.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.64 133.2 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 111.696 -174.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 13' ' ' GLU . 93.6 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.648 ' HE1' HD11 ' A' ' 73' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.742 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 4.4 mptp? -76.41 151.03 36.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.052 0.454 . . . . 0.0 111.597 -173.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 6' ' ' LEU . 16.9 tp -65.67 -30.16 70.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.417 173.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.1 t -69.3 -22.69 63.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.979 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.742 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 53.4 mt-10 -89.77 -2.91 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.383 . . . . 0.0 111.169 -177.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 71' ' ' VAL . 34.0 mt -76.33 165.83 24.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 34.8 mtmt -119.05 161.12 20.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.802 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.34 118.02 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 0.0 110.64 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.11 -12.21 52.19 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.431 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.512 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 1.1 m-20 -79.97 141.6 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HG2' HD12 ' A' ' 74' ' ' LEU . 51.9 ttt180 -124.55 131.09 53.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.32 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -141.87 176.48 8.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.0 tt0 -121.37 133.66 55.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.765 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 HD22 ' A' ' 38' ' ' LEU . 58.0 t -72.27 112.14 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -89.73 -37.64 14.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 m -154.65 116.87 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.17 0.51 . . . . 0.0 110.773 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.889 HG23 HG12 ' A' ' 69' ' ' ILE . 2.4 p -97.22 109.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.28 0.562 . . . . 0.0 110.28 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.63 172.3 17.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.466 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 149.03 98.7 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.434 0.459 . . . . 0.0 109.948 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -46.5 -43.29 22.55 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.825 3.016 . . . . 0.0 113.853 -172.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.43 -49.08 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.146 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.79 -39.49 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 110.597 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' MET . 24.0 ttm180 -57.5 -51.89 67.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.785 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.719 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 99.4 mtt180 -69.77 -35.54 75.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.153 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -41.67 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 89.6 mtp -57.95 -42.44 84.97 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.67 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.09 -31.73 70.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.835 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.84 6.22 25.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.809 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.87 -2.92 55.69 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.067 175.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 28' ' ' MET . 4.9 tt -88.32 85.82 6.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.436 0.636 . . . . 0.0 109.449 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.407 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 26.8 m -121.1 -177.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.119 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -72.08 120.36 17.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.98 0.39 56.17 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.887 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -76.47 126.34 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.774 0.321 . . . . 0.0 111.206 178.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -93.12 128.32 39.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.856 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.473 HD22 HG23 ' A' ' 14' ' ' VAL . 2.3 pt? -139.3 147.63 41.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.437 . . . . 0.0 111.044 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -115.6 132.01 56.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.406 174.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.733 ' HA ' HG12 ' A' ' 52' ' ' VAL . 62.1 t -70.73 119.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 53' ' ' ASN . 97.6 mt -89.52 -64.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.291 -175.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -151.71 160.46 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.145 -173.106 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -117.16 154.49 30.99 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.57 163.17 69.13 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 172.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.32 5.66 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.99 2.46 . . . . 0.0 113.517 -176.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.0 mt -132.8 14.07 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.781 0.324 . . . . 0.0 110.591 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.11 2.09 81.86 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.626 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -161.62 135.8 5.09 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.51 179.21 29.64 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.548 -1.438 . . . . 0.0 113.312 1.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 54.9 mt -115.3 139.03 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.48 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.4 126.77 55.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.781 0.324 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.733 HG12 ' HA ' ' A' ' 40' ' ' VAL . 29.7 m -132.44 156.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -177.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' HB2' HD11 ' A' ' 41' ' ' LEU . 30.9 t30 -106.22 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 175.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.511 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 51.0 t -113.67 123.89 50.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.41 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 62.65 20.34 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.112 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.75 16.01 60.57 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.716 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 59' ' ' LEU . 33.0 ttm -117.1 129.46 56.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.42 102.43 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.082 0.468 . . . . 0.0 109.962 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -119.82 149.5 41.96 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.038 -174.498 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.4 m -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.25 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.5 ptm -138.78 171.47 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -177.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 9.3 mmt180 -95.49 149.84 20.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -172.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 23.0 ttt180 -61.83 -41.9 98.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.436 177.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -60.44 -31.46 70.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.389 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.53 ' O ' HG13 ' A' ' 69' ' ' ILE . 56.0 mm-40 -75.34 -38.39 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 109.693 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.86 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.526 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 23.3 mm-40 -62.5 -47.32 84.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 109.635 173.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.49 -31.26 78.24 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.541 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.889 HG12 HG23 ' A' ' 17' ' ' VAL . 63.4 mt -75.91 119.68 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.297 0.57 . . . . 0.0 111.224 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -103.97 125.58 50.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.713 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 6' ' ' LEU . 29.9 m -116.81 157.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.266 -175.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -118.49 123.94 46.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.868 175.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.648 HD11 ' HE1' ' A' ' 1' ' ' MET . 27.0 mm -64.12 130.9 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.118 0.485 . . . . 0.0 112.12 -173.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 13' ' ' GLU . 94.9 mt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.08 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.909 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.3 mptt -76.15 152.91 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.976 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 6' ' ' LEU . 37.6 tp -65.39 -29.62 70.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.398 173.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 15.1 p -78.31 -8.1 58.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.629 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.909 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 43.8 mt-10 -92.31 -8.75 44.24 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 3' ' ' LEU . 75.8 mt -69.06 163.75 24.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.26 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HG3' ' OD2' ' A' ' 10' ' ' ASP . 2.5 pptp? -130.55 32.96 4.34 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -170.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.482 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 68.67 135.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.467 0.651 . . . . 0.0 112.129 175.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 7.22 84.38 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.455 ' OD2' ' HG3' ' A' ' 7' ' ' LYS . 66.1 m-20 -102.23 132.58 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.073 -0.563 . . . . 0.0 110.355 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 11' ' ' ARG . 65.3 mtt-85 -107.6 121.42 44.62 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.06 166.24 23.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.885 -174.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.12 132.38 56.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.644 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.606 ' HA ' HG12 ' A' ' 71' ' ' VAL . 91.6 t -74.68 116.46 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -35.22 14.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 p -160.94 142.15 11.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.769 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.643 HG13 HG12 ' A' ' 69' ' ' ILE . 45.6 t -114.16 109.48 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.415 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.49 103.6 15.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.015 0.436 . . . . 0.0 110.35 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.86 179.7 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.256 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.57 144.38 89.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.63 -45.13 43.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.867 2.378 . . . . 0.0 112.477 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.77 92.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.52 -43.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 24' ' ' ARG . 37.1 ttm180 -56.5 -50.01 73.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.423 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -66.61 -35.83 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.476 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 16.7 ttt180 -59.74 -42.64 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.484 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 94.0 mt -66.65 -38.63 87.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.297 177.303 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.453 ' HG2' HG12 ' A' ' 33' ' ' VAL . 89.2 mtp -63.99 -40.01 95.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -33.29 75.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.317 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 95.3 mt -71.94 -42.52 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.869 0.366 . . . . 0.0 110.495 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 5.33 0.62 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.3 tt -97.75 96.0 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 28' ' ' MET . 35.7 m -128.97 172.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.236 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -67.98 118.1 10.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.16 -3.75 48.02 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.753 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.5 135.32 39.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.275 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -105.72 126.25 51.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.463 HD23 ' H ' ' A' ' 38' ' ' LEU . 2.3 pt? -133.65 157.99 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.146 0.498 . . . . 0.0 111.889 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -116.75 119.74 36.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.098 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 52' ' ' VAL . 77.9 t -70.62 117.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -90.84 -61.53 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -148.34 159.68 43.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.85 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -118.86 140.14 50.46 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 171.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -65.58 158.26 74.74 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.0 Cg_endo -59.95 6.69 0.1 OUTLIER 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 123.635 2.89 . . . . 0.0 113.946 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' A' ' 44' ' ' ALA . 91.1 mt -131.75 13.16 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.87 8.99 78.94 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.213 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.91 133.3 1.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.58 -175.48 16.56 Favored 'Cis proline' 0 C--O 1.237 0.441 0 C-N-CA 123.436 -1.485 . . . . 0.0 113.13 0.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.84 134.43 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.31 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -98.48 114.47 26.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.858 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.7 m -130.13 136.73 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 0.0 111.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -88.85 101.41 14.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.3 t -108.98 112.32 24.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.645 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 62.59 29.66 16.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.885 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.35 -19.63 53.96 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 113.252 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.36 132.73 42.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.001 0.4 . . . . 0.0 111.201 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.25 105.46 6.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mt -106.46 131.62 53.43 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -108.99 119.81 40.68 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.44 169.44 17.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.116 179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 62' ' ' ARG . 4.9 mmm180 -88.66 156.81 18.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.62 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 48.2 ttt-85 -54.59 -37.22 65.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.181 177.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.538 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 1.8 m-20 -54.49 -43.68 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.422 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.5 mt-10 -73.25 -39.24 65.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.268 -176.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 4' ' ' SER . . . -66.2 -26.17 67.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.357 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' OE2' ' HA ' ' A' ' 64' ' ' ASN . 41.6 mt-10 -62.77 -45.66 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.461 . . . . 0.0 110.491 173.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.52 -35.57 90.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.01 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.643 HG12 HG13 ' A' ' 17' ' ' VAL . 38.5 mt -74.59 123.56 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 111.21 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -103.77 128.28 51.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.448 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.606 HG12 ' HA ' ' A' ' 14' ' ' VAL . 28.9 m -133.04 166.12 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -129.03 134.17 48.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.23 129.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.016 179.848 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.866 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 1.2 mptm? -86.25 153.21 22.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.859 0.361 . . . . 0.0 110.372 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.615 HD23 HD12 ' A' ' 69' ' ' ILE . 17.4 tp -65.53 -31.85 73.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.98 173.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 p -80.67 -0.96 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.909 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.866 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -89.46 -24.52 21.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.132 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.474 HD21 HG12 ' A' ' 73' ' ' ILE . 93.2 mt -62.4 148.7 44.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.601 178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.613 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 18.6 ptpt -121.9 44.03 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -170.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 42' ' ' ARG . . . 68.14 124.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.709 0.766 . . . . 0.0 112.735 174.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.43 -14.37 65.13 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.434 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 6' ' ' LEU . 35.6 m-20 -79.71 148.14 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -115.31 128.42 56.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.17 164.71 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.007 0.432 . . . . 0.0 111.077 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -121.0 127.99 52.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.988 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.412 ' HA ' HG12 ' A' ' 71' ' ' VAL . 56.4 t -71.14 125.79 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.853 -177.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -100.75 -34.02 10.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.094 0.473 . . . . 0.0 110.565 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -158.91 147.97 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.799 HG23 HG12 ' A' ' 69' ' ' ILE . 3.3 p -126.96 111.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.373 0.606 . . . . 0.0 110.562 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.24 112.91 26.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.038 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.26 171.66 16.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.725 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -62.3 148.37 89.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.5 -52.08 6.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 123.609 2.873 . . . . 0.0 113.425 -176.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.84 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.208 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.77 -45.26 77.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.288 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -61.74 -43.22 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.081 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -58.58 -44.51 89.83 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.659 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.488 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.3 mtt180 -58.36 -47.96 82.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.704 0.288 . . . . 0.0 110.826 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 69' ' ' ILE . 85.1 mt -61.04 -46.82 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.157 0.503 . . . . 0.0 110.708 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 89.8 mtp -67.87 -35.8 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.176 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.34 -32.09 69.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.568 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.3 mt -70.42 -40.02 74.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 176.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.54 19.32 0.18 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.995 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -105.25 98.91 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.015 0.436 . . . . 0.0 110.065 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.33 -179.63 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.004 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -67.97 127.52 33.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.85 -4.84 68.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.862 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.52 127.68 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -94.82 129.29 41.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -136.07 145.62 46.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.103 0.478 . . . . 0.0 111.31 -177.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -110.38 124.97 52.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.729 175.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.485 ' HA ' HG12 ' A' ' 52' ' ' VAL . 59.1 t -71.93 126.86 33.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.74 -63.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HG2' ' H ' ' A' ' 43' ' ' PHE . 24.6 ttp180 -170.46 167.65 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.971 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 82.6 m-85 -94.25 164.15 13.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.991 172.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.02 166.41 43.62 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 165.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.33 1.72 0.24 Allowed 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.116 2.544 . . . . 0.0 114.415 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.2 mt -132.6 7.5 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.92 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.71 -3.12 84.35 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.915 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.71 132.95 8.76 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.14 -171.2 9.54 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.782 -1.341 . . . . 0.0 112.782 -1.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.3 mt -124.03 136.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.867 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -104.04 129.08 51.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.624 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 40' ' ' VAL . 28.4 m -137.76 153.82 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.446 . . . . 0.0 111.427 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -109.38 100.97 9.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.66 115.03 29.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.209 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.664 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 7.7 t-20 59.35 27.46 16.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.472 174.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.45 -5.88 62.87 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.442 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.664 ' HE1' ' HB3' ' A' ' 55' ' ' ASN . 4.2 mpp? -101.22 126.89 47.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.114 0.457 . . . . 0.0 110.073 175.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.5 110.43 22.5 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -132.46 135.69 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -175.161 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.6 m -91.18 123.1 34.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.464 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.3 ptm -126.42 164.03 22.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.104 0.478 . . . . 0.0 111.148 -174.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 8.5 mmm180 -86.38 150.04 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.485 -173.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -58.97 -39.23 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.336 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -61.15 -30.49 70.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.841 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' O ' HG13 ' A' ' 69' ' ' ILE . 45.5 mt-10 -74.86 -43.78 52.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.04 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.09 70.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.982 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -60.13 -44.3 95.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.193 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.83 -20.25 72.22 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.078 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.799 HG12 HG23 ' A' ' 17' ' ' VAL . 62.6 mt -87.59 125.07 41.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.207 0.527 . . . . 0.0 111.104 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -102.49 123.12 45.68 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.88 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 14' ' ' VAL . 31.5 m -127.7 167.96 21.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.556 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 171.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.474 HG12 HD21 ' A' ' 6' ' ' LEU . 56.8 mt -66.73 130.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 0.0 111.333 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 121.432 0.634 . . . . 0.0 109.794 177.744 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 ptm . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.569 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 13.7 mptt -85.9 151.05 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.702 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 6' ' ' LEU . 29.7 tp -65.06 -31.49 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -76.4 -15.34 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.237 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.569 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 17.8 mm-40 -95.21 1.83 54.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.121 -176.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.624 HD11 HG21 ' A' ' 71' ' ' VAL . 25.0 mt -77.22 -177.11 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.6 . . . . 0.0 111.668 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 73.6 mmtt -120.11 149.76 41.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.637 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . -66.71 105.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.39 6.86 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.84 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.424 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 179.836 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 11' ' ' ARG . 16.7 ttm180 -113.22 128.62 56.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.54 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.28 174.03 11.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -124.78 133.31 53.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.33 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.553 HG23 HD22 ' A' ' 38' ' ' LEU . 89.6 t -69.84 122.7 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 p -96.6 -41.44 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 148.68 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.285 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.679 HG13 HG12 ' A' ' 69' ' ' ILE . 52.6 t -124.15 117.95 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.437 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.45 101.14 10.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.478 176.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.76 -176.94 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.473 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -65.3 144.1 98.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.68 -42.19 70.72 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.811 2.341 . . . . 0.0 112.344 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.55 83.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.151 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.85 -35.67 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.523 -175.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 28' ' ' MET . 43.8 ttp180 -63.22 -49.16 75.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.932 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 28' ' ' MET . 32.1 mtm105 -64.38 -31.9 73.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.151 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -43.24 89.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.83 -39.34 56.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.445 ' HG2' HG12 ' A' ' 33' ' ' VAL . 88.1 mtp -61.96 -37.78 86.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -34.86 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.751 175.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.733 HD13 HD22 ' A' ' 59' ' ' LEU . 97.1 mt -71.98 -41.16 68.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.032 177.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.33 -0.66 1.12 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.655 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -82.26 92.78 6.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.14 0.495 . . . . 0.0 110.128 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 28.8 m -133.47 -175.98 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.092 178.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -68.9 116.59 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 175.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.05 -1.05 38.24 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.843 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.26 123.69 25.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.52 0.2 . . . . 0.0 110.606 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HG2' HD11 ' A' ' 74' ' ' LEU . 57.2 mttp -91.02 126.53 36.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.807 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD22 HG23 ' A' ' 14' ' ' VAL . 2.4 pt? -140.99 149.38 41.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.999 0.428 . . . . 0.0 110.735 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 36.8 ttpt -118.23 135.56 54.19 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 52' ' ' VAL . 70.6 t -70.2 118.35 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 53' ' ' ASN . 87.5 mt -90.58 -56.68 3.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.18 143.12 27.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.983 -173.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.75 133.61 53.19 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 165.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -62.99 161.74 27.98 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 22.2 Cg_endo -61.24 5.88 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.715 0 C-N-CA 123.153 2.569 . . . . 0.0 114.168 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.7 mt -132.5 10.06 4.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.181 0.515 . . . . 0.0 109.812 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.98 20.69 79.04 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -170.1 127.67 0.78 Allowed Pre-proline 0 C--N 1.326 -0.415 0 C-N-CA 122.904 0.481 . . . . 0.0 109.71 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.66 -175.93 17.67 Favored 'Cis proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.984 1.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -122.26 137.11 56.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.429 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.2 121.05 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.123 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 40' ' ' VAL . 31.4 m -133.33 150.05 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.015 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 49.7 t-20 -101.82 105.36 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -107.92 108.53 19.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.068 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.47 28.48 13.78 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.078 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.56 -4.2 63.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.546 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -104.53 117.72 34.83 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -82.91 105.33 13.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.733 HD22 HD13 ' A' ' 30' ' ' LEU . 9.8 mt -101.3 144.41 30.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.016 -172.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m -128.61 120.55 26.84 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.019 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 -179.5 6.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -91.45 161.45 14.98 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 39.7 ttt85 -58.92 -36.98 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.28 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.37 -32.49 70.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.08 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 mp0 -69.67 -46.49 65.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.043 0.449 . . . . 0.0 109.986 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.56 78.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.282 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 44.0 mt-10 -63.38 -36.33 83.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.161 0.505 . . . . 0.0 110.366 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.05 -25.18 73.34 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.669 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.679 HG12 HG13 ' A' ' 17' ' ' VAL . 61.4 mt -86.3 132.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.593 . . . . 0.0 111.722 -173.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 m -105.28 130.65 53.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.537 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.624 HG21 HD11 ' A' ' 6' ' ' LEU . 33.3 m -129.35 158.69 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -121.89 121.67 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.983 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.99 134.16 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.324 0.583 . . . . 0.0 111.817 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD11 ' HG2' ' A' ' 37' ' ' LYS . 48.9 mt . . . . . 0 CA--C 1.516 -0.355 0 CA-C-O 121.81 0.814 . . . . 0.0 110.549 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttp . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -86.77 153.8 21.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 69' ' ' ILE . 18.4 tp -65.74 -33.52 76.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.68 172.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -75.33 -8.43 56.65 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.601 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -97.07 1.66 50.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.546 HD11 HG21 ' A' ' 71' ' ' VAL . 50.3 mt -79.6 178.34 8.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.223 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.8 156.07 48.67 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 116.99 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.241 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.56 -32.08 4.4 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.25 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.71 151.68 37.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.322 0.582 . . . . 0.0 112.496 -172.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 11' ' ' ARG . 19.4 mtp180 -114.54 141.61 47.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.866 176.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.78 165.84 27.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.23 0.538 . . . . 0.0 111.556 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.734 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.4 tt0 -113.67 131.9 55.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.158 176.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.47 119.05 21.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.867 0.365 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -95.78 -34.0 12.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 p -162.44 147.38 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.778 HG13 HG12 ' A' ' 69' ' ' ILE . 60.1 t -120.58 119.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.413 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.593 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.06 104.72 14.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.965 0.412 . . . . 0.0 110.066 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.04 172.28 17.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.559 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 11.6 tm-20 -58.28 141.87 82.0 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 6.6 Cg_endo -51.27 -43.02 51.54 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.087 2.525 . . . . 0.0 113.443 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.3 -44.59 68.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.752 0.31 . . . . 0.0 110.655 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 74.0 t -66.94 -40.34 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.18 0.514 . . . . 0.0 109.997 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.89 -39.95 91.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.945 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.25 -41.22 99.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.401 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 76.0 mtp180 -70.9 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.7 mt -60.72 -46.04 91.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 109.895 176.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 42.7 mtm -70.49 -27.45 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.751 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.21 -47.9 69.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.981 175.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.92 14.99 0.21 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.129 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.81 89.26 4.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.3 m -125.68 -176.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.218 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -67.81 114.7 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.96 -1.8 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.387 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.96 136.35 41.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.866 0.365 . . . . 0.0 110.425 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.61 128.65 54.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.9 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.84 160.47 38.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.143 0.496 . . . . 0.0 111.684 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HG3' ' HG2' ' A' ' 11' ' ' ARG . 57.5 tttp -122.11 124.2 43.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.483 175.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.7 ' HA ' HG12 ' A' ' 52' ' ' VAL . 57.7 t -71.53 117.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.715 HD11 HD22 ' A' ' 58' ' ' LEU . 68.1 mt -83.33 -62.65 1.53 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.929 0.395 . . . . 0.0 110.373 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -161.82 152.43 17.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.009 -175.467 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -105.08 155.43 19.0 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -73.32 165.38 53.4 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.45 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 72.8 Cg_exo -49.31 -33.34 28.45 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.72 2.28 . . . . 0.0 113.02 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.18 1.0 54.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.279 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.4 0.06 86.78 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.838 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -151.43 132.18 7.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -78.6 -170.81 9.1 Favored 'Cis proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.565 -1.431 . . . . 0.0 113.493 1.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.4 mt -126.55 139.65 51.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.331 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -108.44 121.36 44.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.681 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.7 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.4 m -135.79 146.6 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.128 0.489 . . . . 0.0 111.246 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.76 100.22 12.75 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 42.9 t -110.85 118.67 36.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.952 0.406 . . . . 0.0 111.063 -173.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.56 27.88 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.39 -3.5 63.75 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.5 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 71.7 mtm -121.01 138.64 54.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.115 0.458 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.715 HD22 HD11 ' A' ' 41' ' ' LEU . 68.6 mt -75.91 107.39 8.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.854 178.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 54' ' ' CYS . 8.0 mt -111.12 137.52 48.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.904 0.383 . . . . 0.0 110.393 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.76 130.76 45.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.885 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 21.1 ptm -143.22 166.86 23.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.102 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 62' ' ' ARG . 7.1 mmm180 -96.21 163.14 13.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 29.4 ttt180 -61.72 -34.28 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.025 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.84 -49.9 61.95 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.8 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.628 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.2 mp0 -64.25 -43.39 95.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.83 -28.46 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.931 -175.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 36.7 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 109.909 174.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.593 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.49 -36.9 84.77 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.726 -0.67 . . . . 0.0 113.127 175.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.778 HG12 HG13 ' A' ' 17' ' ' VAL . 61.5 mt -74.41 132.5 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.395 0.617 . . . . 0.0 111.443 -174.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -109.73 128.29 55.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.821 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.546 HG21 HD11 ' A' ' 6' ' ' LEU . 29.3 m -132.63 160.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.196 0.522 . . . . 0.0 111.393 -175.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -123.46 129.62 51.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.21 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.51 129.17 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.985 0.422 . . . . 0.0 111.211 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 13' ' ' GLU . 95.0 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.138 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 12.8 tpt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.9 mptt -84.78 145.63 27.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.689 HD12 HD12 ' A' ' 6' ' ' LEU . 35.0 tp -65.47 -32.42 74.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.336 0.589 . . . . 0.0 109.765 175.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -74.55 -14.77 60.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.78 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.521 ' CG ' ' HB2' ' A' ' 2' ' ' LYS . 24.2 mm-40 -88.29 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD12 HD12 ' A' ' 3' ' ' LEU . 55.4 mt -76.56 174.22 10.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 177.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.91 159.79 39.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.757 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.32 -27.03 5.91 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.591 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.72 149.97 41.5 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.261 0.553 . . . . 0.0 111.523 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -122.48 136.9 55.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.37 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.27 163.03 33.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.583 0.23 . . . . 0.0 111.058 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -110.32 126.6 54.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.659 ' HA ' HG12 ' A' ' 71' ' ' VAL . 60.8 t -71.0 120.32 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.696 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.5 p -99.76 -27.54 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -162.95 152.2 15.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.321 . . . . 0.0 110.731 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.734 HG13 HG12 ' A' ' 69' ' ' ILE . 52.8 t -126.77 132.64 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -132.02 106.85 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.415 0.626 . . . . 0.0 110.786 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -161.16 175.03 12.8 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 143.96 72.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.51 -42.08 68.48 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.124 2.55 . . . . 0.0 112.84 -173.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.46 86.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.082 0.468 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.9 -46.03 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.125 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -63.22 -34.39 77.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.508 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.0 -42.11 98.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.21 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 67.5 mtt180 -65.54 -38.48 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.886 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.24 -48.23 74.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.7 mtp -64.07 -37.3 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.74 -45.75 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.529 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 97.6 mt -64.6 -39.94 94.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.531 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.54 0.82 0.94 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.54 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.16 96.51 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.251 0.548 . . . . 0.0 110.016 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.91 176.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.375 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -62.38 123.53 18.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.746 0.307 . . . . 0.0 110.239 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.29 -13.01 48.25 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.963 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.76 126.12 29.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -105.37 128.86 53.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.341 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 3' ' ' LEU . 2.3 pt? -135.48 153.11 51.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.006 0.431 . . . . 0.0 111.673 -172.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -106.43 125.23 50.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.748 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HA ' HG12 ' A' ' 52' ' ' VAL . 47.6 t -72.3 121.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.02 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.81 157.36 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.166 0.507 . . . . 0.0 111.191 -172.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.53 141.86 51.59 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.088 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.633 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -66.97 163.45 44.16 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 30.2 Cg_endo -62.85 1.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.756 2.304 . . . . 0.0 113.837 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -133.28 17.21 4.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.684 0.278 . . . . 0.0 110.974 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.22 19.31 79.6 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.653 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -168.77 124.56 0.78 Allowed Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.74 176.44 39.91 Favored 'Cis proline' 0 C--O 1.236 0.413 0 C-N-CA 123.297 -1.543 . . . . 0.0 113.465 2.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.45 135.92 51.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.65 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -110.19 119.42 39.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.149 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 40' ' ' VAL . 29.6 m -131.86 149.02 32.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.079 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -96.95 103.2 15.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.7 t -105.97 101.92 11.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.734 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 61.22 30.09 19.06 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.21 -3.18 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.599 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -108.42 117.27 33.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.73 111.54 12.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.803 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.428 HD22 HD13 ' A' ' 30' ' ' LEU . 8.2 mt -108.5 129.03 55.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.295 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.2 m -114.59 120.66 40.94 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -148.55 178.58 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.729 0.299 . . . . 0.0 111.282 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -92.69 161.72 14.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.505 -171.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.36 -38.57 87.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.704 -174.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -58.52 -36.29 73.6 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.93 0.395 . . . . 0.0 110.737 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.6 mt-10 -67.9 -43.92 78.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.049 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.44 -26.49 60.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.557 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.77 -45.03 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.013 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.82 -21.87 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.121 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HG13 ' A' ' 17' ' ' VAL . 72.5 mt -85.42 123.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.474 . . . . 0.0 111.31 -177.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -96.43 126.02 41.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.974 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' A' ' 14' ' ' VAL . 35.2 m -130.8 169.83 20.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -128.62 128.18 43.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.42 HD11 ' HE2' ' A' ' 1' ' ' MET . 42.6 mt -70.13 133.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.104 0.478 . . . . 0.0 111.217 -176.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.556 177.924 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HE1' HD11 ' A' ' 73' ' ' ILE . 28.1 ttt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.034 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 1.4 mptm? -77.59 152.73 33.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.178 0.513 . . . . 0.0 111.558 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 6' ' ' LEU . 28.3 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.161 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -74.81 -13.72 60.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.107 -0.952 . . . . 0.0 111.199 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 1.034 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 50.4 mt-10 -89.48 3.71 51.5 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.964 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 3' ' ' LEU . 63.0 mt -79.71 177.91 8.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.269 0.557 . . . . 0.0 111.656 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 29.5 mttp -115.29 162.68 16.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.965 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.8 104.46 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.88 1.78 28.66 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.099 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.466 ' HB2' ' H ' ' A' ' 7' ' ' LYS . 1.2 t0 -74.94 163.68 27.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 110.69 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.75 120.36 26.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.537 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -140.09 160.26 40.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.117 0.484 . . . . 0.0 111.615 -177.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.5 tt0 -119.17 128.23 54.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.841 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.13 126.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.003 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.3 p -102.23 -36.64 8.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -160.66 147.55 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.494 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.66 HG13 HG12 ' A' ' 69' ' ' ILE . 59.4 t -122.89 116.2 48.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.84 99.1 8.75 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.64 -175.73 5.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.161 -174.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.568 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 2.6 mm-40 -52.9 142.03 35.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 173.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 10.2 Cg_endo -58.87 -37.01 95.95 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.375 2.05 . . . . 0.0 111.586 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.6 62.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.153 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.27 -46.67 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 28' ' ' MET . 53.1 ttp180 -59.49 -42.14 91.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.947 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -59.91 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.881 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 78.1 ttt180 -56.84 -45.79 82.14 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 91.0 mt -65.29 -40.84 94.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 50.2 mtm -74.72 -31.03 61.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.807 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -64.37 -31.45 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.0 mt -72.05 -46.62 56.3 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.02 -1.89 0.7 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.385 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' ' HG2' ' A' ' 28' ' ' MET . 6.2 tt -83.12 84.51 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.489 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 33.9 m -121.82 -174.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.928 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -67.62 115.97 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.62 -1.93 36.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.25 -175.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.14 126.74 31.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.595 0.236 . . . . 0.0 110.674 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -97.27 128.21 43.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 38' ' ' LEU . 2.1 pt? -139.7 148.25 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.174 0.511 . . . . 0.0 111.62 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -110.29 126.08 53.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.165 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' HA ' HG12 ' A' ' 52' ' ' VAL . 75.1 t -70.05 104.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -71.66 -61.57 1.73 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.89 0.376 . . . . 0.0 110.356 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 42' ' ' ARG . 11.3 mtt180 -160.02 153.04 21.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.047 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' HD2' HG12 ' A' ' 50' ' ' ILE . 34.1 m-85 -92.45 153.97 18.79 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 165.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -58.13 155.15 26.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.41 8.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.48 0.7 0 C-N-CA 123.897 3.065 . . . . 0.0 114.381 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 44' ' ' ALA . 89.2 mt -131.34 -36.85 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.77 -25.16 0.83 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.854 177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -151.3 142.36 15.25 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -85.01 -167.52 5.14 Favored 'Cis proline' 0 C--O 1.234 0.313 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.216 1.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.483 HG12 ' HD2' ' A' ' 43' ' ' PHE . 48.8 mt -116.79 136.04 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -103.72 118.11 35.94 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 40' ' ' VAL . 18.5 m -122.65 136.97 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.08 0.467 . . . . 0.0 111.031 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -93.68 100.27 12.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -107.44 116.08 31.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.97 35.69 22.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.197 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.46 49.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.791 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.3 mtm -97.39 131.48 44.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.854 0.359 . . . . 0.0 110.728 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.73 105.95 13.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.068 0.461 . . . . 0.0 109.91 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.29 126.92 51.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.626 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 m -107.88 120.79 43.28 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.42 171.14 14.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.227 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 5.4 mmt180 -86.59 151.25 23.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.103 -173.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.67 -38.3 77.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.533 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -65.35 -28.43 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.597 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 38.7 mt-10 -71.43 -38.36 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.96 68.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 44.8 mm-40 -64.05 -40.48 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.113 0.482 . . . . 0.0 110.889 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.43 -18.59 69.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.038 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.66 HG12 HG13 ' A' ' 17' ' ' VAL . 69.8 mt -92.7 128.69 44.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 0.0 111.279 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' MET . 24.6 m -100.78 129.79 46.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.404 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.537 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 27.0 m -122.73 160.4 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 0.0 111.63 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.184 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.442 HD11 ' HE1' ' A' ' 1' ' ' MET . 36.7 mm -70.71 126.8 31.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 13' ' ' GLU . 32.3 mt -86.67 42.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.471 0.653 . . . . 0.0 111.032 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.93 101.73 2.92 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.898 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.84 71.57 2.98 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.45 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -92.12 175.64 6.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -98.76 -164.68 1.16 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.82 3.57 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -174.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.9 t60 67.34 75.16 0.31 Allowed Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 123.83 0.852 . . . . 0.0 109.787 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.63 -7.39 8.63 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.893 2.395 . . . . 0.0 113.696 -175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -112.81 130.74 55.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.17 -112.71 3.12 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.563 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -80.25 147.02 63.7 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.979 0.419 . . . . 0.0 111.49 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.66 87.8 1.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.854 2.369 . . . . 0.0 112.332 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.5 24.26 0.58 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.66 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -114.71 -30.02 6.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.738 0.304 . . . . 0.0 110.958 -178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -103.59 -33.33 9.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.301 0.572 . . . . 0.0 109.666 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -136.74 116.69 13.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.763 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -133.89 107.5 7.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.941 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -139.87 118.02 11.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 111.124 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 92' ' ' ARG . 11.9 ttm180 -152.13 135.4 15.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.667 173.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.51 116.37 5.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.211 175.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . -177.11 -163.27 28.93 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.558 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 70.4 tttt 70.84 157.41 0.17 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.05 0.452 . . . . 0.0 111.011 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.558 ' N ' ' HG2' ' A' ' 95' ' ' LYS . 8.7 tpt180 -68.8 95.1 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.88 80.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.062 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.85 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.5 pt? -76.42 80.6 3.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.594 0.711 . . . . 0.0 110.378 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -80.49 78.49 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.613 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -178.3 -44.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.187 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.562 ' HB2' HD12 ' A' ' 98' ' ' LEU . 96.5 m-70 -89.97 98.09 11.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.417 0.627 . . . . 0.0 111.494 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -117.17 -28.69 6.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.821 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -101.65 -5.73 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.756 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -112.74 128.83 56.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.48 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 . . . . . 0 C--O 1.252 1.187 0 O-C-N 124.21 0.944 . . . . 0.0 110.936 172.615 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HE1' HD11 ' A' ' 73' ' ' ILE . 27.4 ttt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 14.1 mptt -83.25 146.83 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.287 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.584 HD23 HD12 ' A' ' 69' ' ' ILE . 20.0 tp -65.05 -29.79 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.522 0.677 . . . . 0.0 109.234 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 t -75.34 -11.24 60.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.039 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER -93.76 -2.3 53.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 -178.761 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.538 HD12 HD12 ' A' ' 3' ' ' LEU . 62.8 mt -76.86 160.16 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -111.06 169.53 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 108.99 4.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.068 0.461 . . . . 0.0 110.54 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.99 -12.37 20.09 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.212 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.27 137.78 40.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -115.16 122.88 47.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.732 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.93 158.52 43.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.843 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.668 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 15.5 pt-20 -108.19 144.98 34.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.783 0.325 . . . . 0.0 110.162 175.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.4 t -76.35 117.53 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -97.63 -26.81 14.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.65 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.48 ' HB3' ' HB ' ' A' ' 70' ' ' THR . 27.5 t -159.57 157.58 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 HG12 ' A' ' 69' ' ' ILE . 7.6 p -143.08 133.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.13 110.14 9.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.351 . . . . 0.0 110.657 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -164.42 174.06 11.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.116 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.13 146.41 77.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.349 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.58 -40.73 71.91 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.23 2.62 . . . . 0.0 113.124 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.01 86.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.099 0.476 . . . . 0.0 111.059 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 87.1 t -69.33 -41.88 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.969 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' MET . 35.6 ttm180 -60.88 -47.53 85.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.748 178.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -57.66 -41.09 80.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.617 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.463 HH11 ' HD3' ' A' ' 26' ' ' ARG . 16.9 ttt180 -61.73 -46.33 90.1 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 176.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.2 mt -62.33 -42.74 99.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.569 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.3 mtp -61.51 -38.12 86.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.15 -30.37 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.66 0.41 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.837 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.86 17.01 53.43 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.759 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 tt -98.37 93.95 6.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.243 0.544 . . . . 0.0 109.718 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.72 178.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.547 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -66.1 122.58 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -18.12 40.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.79 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 133.1 46.13 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.668 ' HG2' ' HB3' ' A' ' 13' ' ' GLU . 38.3 mttp -109.78 130.63 55.5 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.123 -174.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -133.14 163.81 28.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.705 -173.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -135.59 134.93 39.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.652 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.761 ' HA ' HG12 ' A' ' 52' ' ' VAL . 57.2 t -73.1 126.45 33.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -91.29 -54.76 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 1.8 ptm180 -157.65 168.02 28.45 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.968 0.414 . . . . 0.0 111.339 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.5 148.61 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.415 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -75.01 165.84 50.52 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 173.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 31.1 Cg_endo -62.81 5.99 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.212 2.608 . . . . 0.0 114.105 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.6 mt -131.97 11.48 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.694 0.283 . . . . 0.0 110.297 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.46 71.45 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.61 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -161.88 128.04 2.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 4.0 Cg_exo -78.48 -179.27 26.4 Favored 'Cis proline' 0 C--O 1.235 0.366 0 C-N-CA 123.663 -1.39 . . . . 0.0 113.416 1.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.29 137.57 55.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.204 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -111.18 124.93 53.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.761 HG12 ' HA ' ' A' ' 40' ' ' VAL . 30.4 m -133.73 157.19 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.069 0.461 . . . . 0.0 111.477 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 50.6 t-20 -105.21 100.98 10.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.539 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 53.8 t -111.46 115.02 28.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.941 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 64.03 20.54 12.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.72 -1.04 63.36 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.881 -177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.6 tpp -96.57 127.79 42.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 105.21 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -130.33 140.46 50.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.406 -174.005 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.8 m -94.93 125.91 39.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.3 ptm -132.52 160.74 35.66 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.231 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.514 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 6.4 mmm180 -87.2 156.91 19.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 0.0 110.388 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.19 -44.76 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.555 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 7.9 p30 -60.39 -28.62 68.37 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 -178.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 43.0 mt-10 -71.83 -38.79 70.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' HB1' ' HG ' ' A' ' 3' ' ' LEU . . . -73.48 -25.98 60.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.754 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.555 ' HG3' ' HA ' ' A' ' 64' ' ' ASN . 2.5 mm-40 -60.22 -46.52 89.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.825 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.41 -16.71 67.66 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.169 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.659 HG12 HG23 ' A' ' 17' ' ' VAL . 64.9 mt -91.56 133.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.294 0.569 . . . . 0.0 111.323 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.48 ' HB ' ' HB3' ' A' ' 16' ' ' SER . 17.7 m -107.26 125.04 50.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.772 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.75 161.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.083 0.468 . . . . 0.0 111.509 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -125.25 119.92 29.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.215 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.403 HD11 ' HE1' ' A' ' 1' ' ' MET . 57.2 mt -63.86 132.66 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.004 0.43 . . . . 0.0 110.689 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 37' ' ' LYS . 48.0 mt -89.24 51.36 2.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.565 0.697 . . . . 0.0 110.666 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.92 -44.11 17.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.182 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.27 -103.38 2.06 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.966 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -151.06 -65.55 0.19 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.34 99.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.856 0.723 . . . . 0.0 111.523 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.507 ' O ' ' HD3' ' A' ' 81' ' ' PRO . . . -80.99 79.74 1.77 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.821 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -107.09 88.84 4.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 79' ' ' GLY . 64.0 Cg_exo -50.61 116.85 2.81 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.895 2.397 . . . . 0.0 113.19 -174.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -141.91 179.93 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.401 175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.91 54.97 3.44 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.348 -0.93 . . . . 0.0 111.439 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -66.15 145.59 99.0 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -54.21 86.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.059 2.506 . . . . 0.0 112.088 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.49 -177.37 37.08 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.8 t80 59.81 70.37 0.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.781 0.8 . . . . 0.0 108.996 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -139.46 132.14 28.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.888 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -157.01 94.93 1.46 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.206 0.527 . . . . 0.0 111.006 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -157.93 30.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -67.54 108.22 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.928 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -77.8 153.14 33.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -119.06 147.59 43.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.36 148.98 19.18 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.307 -174.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -129.44 112.84 14.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -152.01 100.1 2.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.857 0.36 . . . . 0.0 110.558 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.54 150.48 41.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.81 93.68 6.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.083 0.468 . . . . 0.0 110.248 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -96.0 120.65 36.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.648 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -106.77 -169.22 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.423 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -76.06 -50.84 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.667 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -111.1 131.93 54.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.93 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -86.65 -26.43 24.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.463 0.649 . . . . 0.0 109.391 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -121.67 140.8 51.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.978 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.0 t60 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.885 -178.381 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.713 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -81.28 156.53 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.251 0.548 . . . . 0.0 112.017 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.602 HD12 HD12 ' A' ' 6' ' ' LEU . 31.3 tp -65.56 -29.74 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.525 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 t -71.91 -20.42 61.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.018 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.713 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 20.9 mm-40 -94.42 6.75 47.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.735 -176.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.741 HD22 HD11 ' A' ' 73' ' ' ILE . 23.0 mt -82.25 -179.5 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.141 0.496 . . . . 0.0 111.564 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HE2' ' OD2' ' A' ' 10' ' ' ASP . 38.1 mtmt -126.21 169.27 13.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.359 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 109.41 7.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.24 5.38 34.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.686 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' OD2' ' HE2' ' A' ' 7' ' ' LYS . 1.2 m-20 -87.08 118.81 26.72 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.306 0.574 . . . . 0.0 110.707 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -100.77 119.96 39.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.556 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.799 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -134.89 172.68 12.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.315 -172.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -123.51 131.59 53.68 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 38' ' ' LEU . 59.5 t -70.96 125.39 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.731 0.301 . . . . 0.0 110.845 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -89.95 -52.62 4.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.002 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -153.66 136.7 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.014 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.669 HG13 HG12 ' A' ' 69' ' ' ILE . 25.6 t -102.08 108.46 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.569 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.54 106.91 19.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.22 174.42 15.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 -173.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.826 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -62.47 142.85 96.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.318 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.826 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 1.1 Cg_endo -45.53 -49.1 10.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.217 2.611 . . . . 0.0 113.236 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.42 70.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.422 HG11 ' OE1' ' A' ' 65' ' ' GLU . 77.9 t -65.94 -44.29 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.018 0.437 . . . . 0.0 110.212 -177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -61.11 -43.54 98.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.709 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 51.5 tpt85 -59.91 -40.24 88.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.669 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 99.3 mtt180 -69.88 -47.35 62.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.729 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 41.4 mtm -69.35 -28.61 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' ARG . 15.9 t70 -68.09 -35.46 78.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.8 mt -73.44 -42.5 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.306 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.3 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' HG2' ' A' ' 28' ' ' MET . 4.9 tt -101.61 91.33 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.25 -178.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -66.14 129.37 39.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.266 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 -0.98 79.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.97 126.2 30.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.83 0.347 . . . . 0.0 110.282 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -92.14 124.64 36.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.669 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.595 HD22 HG23 ' A' ' 14' ' ' VAL . 2.4 pt? -135.42 149.58 49.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 -176.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.73 124.58 47.65 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.701 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.503 HG22 HG12 ' A' ' 52' ' ' VAL . 95.0 t -70.57 109.62 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.34 -54.8 20.41 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -171.41 165.87 7.0 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.298 0.57 . . . . 0.0 110.463 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.87 153.17 17.9 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 167.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.3 162.25 34.49 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 25.1 Cg_endo -61.11 6.13 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.133 2.555 . . . . 0.0 113.796 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 44' ' ' ALA . 95.3 mt -132.45 14.62 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.19 -20.45 16.68 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.387 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -144.21 138.89 15.25 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.29 -170.05 7.59 Favored 'Cis proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.666 -1.389 . . . . 0.0 113.515 0.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.625 HD11 ' HG3' ' A' ' 63' ' ' ARG . 38.8 mt -118.35 140.63 41.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.37 115.05 29.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.075 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.503 HG12 HG22 ' A' ' 40' ' ' VAL . 25.4 m -121.72 136.26 59.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.918 0.389 . . . . 0.0 110.753 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -97.79 101.41 12.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.5 t -107.03 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -173.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 57.0 26.65 12.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.085 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.3 62.81 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.936 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -105.87 121.94 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.17 109.07 15.36 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.57 140.33 39.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.991 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.1 m -127.06 129.45 48.04 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.63 176.8 11.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.789 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.613 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 18.0 mmm180 -79.64 149.31 31.33 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.625 ' HG3' HD11 ' A' ' 50' ' ' ILE . 67.4 ttt180 -62.35 -28.78 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -54.73 -42.66 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.853 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.613 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.3 mm-40 -67.29 -38.28 84.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.343 0.592 . . . . 0.0 109.91 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.48 64.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.144 -174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.28 -34.74 79.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.529 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.63 -34.35 83.47 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.568 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.669 HG12 HG13 ' A' ' 17' ' ' VAL . 50.9 mt -80.58 122.51 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.915 0.388 . . . . 0.0 111.152 -175.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 m -97.45 130.11 44.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.651 HG21 HD11 ' A' ' 6' ' ' LEU . 26.9 m -133.31 155.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -114.96 123.22 48.55 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.799 HD13 ' HB2' ' A' ' 12' ' ' ALA . 10.5 mm -68.93 122.29 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.215 0.531 . . . . 0.0 111.078 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.61 75.84 8.22 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.491 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.54 77.8 0.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.967 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.57 15.39 1.24 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.08 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -77.3 -50.58 12.53 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.1 156.73 19.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.44 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.82 117.68 1.75 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.902 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -70.26 143.58 91.13 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-O 120.712 0.292 . . . . 0.0 110.49 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.06 115.45 4.0 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.473 2.115 . . . . 0.0 111.778 176.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -64.23 105.6 0.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.494 0.664 . . . . 0.0 111.552 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.39 -115.53 0.46 Allowed Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 85' ' ' PRO . 18.2 t-105 -175.67 144.01 0.72 Allowed Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 84' ' ' TRP . 11.6 Cg_endo -57.38 109.21 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.4 2.067 . . . . 0.0 111.554 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.69 -67.75 0.66 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 t80 64.57 22.13 12.59 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.174 0.511 . . . . 0.0 110.508 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 68.01 92.08 0.08 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.666 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -78.04 169.61 17.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.067 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -84.3 92.93 8.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.092 0.472 . . . . 0.0 109.867 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -103.36 102.21 12.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.742 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -136.54 -56.79 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.724 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 61.72 97.63 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.636 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 95' ' ' LYS . . . -171.22 151.2 15.01 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.501 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 94' ' ' GLY . 63.7 mmtt 71.21 163.19 0.26 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 112.144 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 96' ' ' ARG . 39.5 ttm180 67.03 71.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.327 -178.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.78 128.97 15.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.388 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 94.3 mt -101.67 7.63 41.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.377 -174.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.797 ' HG2' ' H ' ' A' ' 100' ' ' HIS . 29.1 tt0 66.65 -170.79 0.19 Allowed 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.798 0.686 . . . . 0.0 109.644 -177.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.797 ' H ' ' HG2' ' A' ' 99' ' ' GLU . 91.3 m-70 -118.21 100.22 7.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.784 0.326 . . . . 0.0 110.336 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -101.16 -73.82 0.63 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.128 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.9 m80 61.25 -170.75 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.052 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -124.36 112.4 16.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 171.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -91.53 -75.29 0.48 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.117 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.239 178.913 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.86 0.362 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.579 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 12.8 mptt -78.0 155.87 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 6' ' ' LEU . 37.8 tp -65.99 -31.66 72.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.853 173.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 p -77.75 -12.98 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.641 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.579 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 57.3 mm-40 -87.37 -6.5 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 3' ' ' LEU . 84.9 mt -76.85 176.81 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.593 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 7.7 ptpp? -126.8 170.94 11.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.825 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 113.69 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.17 -12.1 19.7 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.643 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.593 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 5.0 m-20 -69.02 141.89 54.73 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.14 0.495 . . . . 0.0 111.432 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -117.22 121.29 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.889 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -142.14 155.86 45.34 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.221 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' HD21 ' A' ' 74' ' ' LEU . 10.2 pt-20 -107.26 138.6 43.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 172.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.37 128.22 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.167 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -96.48 -41.85 8.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.236 0.541 . . . . 0.0 109.994 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 p -157.12 142.85 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.218 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.677 HG23 HG12 ' A' ' 69' ' ' ILE . 2.6 p -118.86 109.87 28.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.35 100.49 13.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.686 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.18 164.08 36.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.488 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -62.69 144.73 96.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -47.44 -48.19 15.93 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.608 2.872 . . . . 0.0 113.662 -175.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.09 83.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.77 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.19 -44.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' MET . 41.8 ttp180 -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.787 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 5.6 tpt180 -57.73 -45.0 86.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.984 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 89.0 mtt180 -58.62 -43.73 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.496 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.24 -39.32 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.6 mtp -67.21 -38.62 85.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.16 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.49 -34.19 77.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.099 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.0 mt -68.93 -39.33 79.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 109.985 176.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.71 -9.69 2.1 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.254 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.23 94.0 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.489 -175.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -139.03 178.57 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.39 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -57.63 119.46 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 0.0 110.627 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -10.68 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.157 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.61 127.11 31.85 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.782 0.291 . . . . 0.0 111.123 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.03 133.0 34.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.181 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 38' ' ' LEU . 3.1 pp -137.59 152.31 49.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 0.0 111.472 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.83 129.19 55.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.44 171.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.744 ' HA ' HG12 ' A' ' 52' ' ' VAL . 52.9 t -73.72 116.63 16.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 53' ' ' ASN . 91.3 mt -88.01 -57.53 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.278 -174.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -155.4 159.44 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.331 0.586 . . . . 0.0 110.847 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.79 149.93 39.15 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.072 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -68.54 166.4 26.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.644 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.8 Cg_endo -58.19 7.14 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.539 2.826 . . . . 0.0 114.19 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 44' ' ' ALA . 23.4 mt -131.11 -1.21 4.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.865 0.364 . . . . 0.0 110.281 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.81 -5.08 80.49 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.98 132.92 8.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.02 -175.24 16.33 Favored 'Cis proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.306 -1.539 . . . . 0.0 113.333 0.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -120.08 140.55 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.245 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -112.17 119.23 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 40' ' ' VAL . 27.2 m -128.56 159.58 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.027 0.442 . . . . 0.0 111.303 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.53 HD22 HD13 ' A' ' 58' ' ' LEU . 25.9 t-20 -110.71 101.76 10.37 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.47 126.15 55.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 m120 62.22 21.58 12.56 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.94 0.39 85.69 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.189 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.474 ' HB3' HD21 ' A' ' 59' ' ' LEU . 37.4 ttm -104.09 134.42 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.837 0.351 . . . . 0.0 110.103 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.53 HD13 HD22 ' A' ' 53' ' ' ASN . 2.8 mm? -76.77 106.52 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 57' ' ' MET . 6.8 mt -108.83 139.12 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -177.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.3 m -130.72 119.74 22.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.464 0.649 . . . . 0.0 110.796 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 174.19 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.254 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -91.05 168.46 11.63 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.112 0.482 . . . . 0.0 110.5 -175.748 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -65.23 -27.24 68.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.898 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -52.75 -45.65 67.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.758 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.1 mp0 -71.97 -44.09 64.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.217 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.34 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.416 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.66 -40.93 89.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.238 0.542 . . . . 0.0 110.551 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.84 -31.14 77.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.229 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.677 HG12 HG23 ' A' ' 17' ' ' VAL . 63.7 mt -80.41 121.38 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.099 0.476 . . . . 0.0 111.239 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 m -100.17 129.35 46.18 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 6' ' ' LEU . 33.8 m -127.75 166.8 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.07 0.462 . . . . 0.0 111.259 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -130.74 123.69 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.715 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 70.6 mt -67.1 134.19 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.195 0.521 . . . . 0.0 111.593 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 13' ' ' GLU . 81.7 mt -97.72 82.07 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.861 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.92 102.22 1.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.427 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.59 38.7 1.76 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.693 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 61.69 22.15 12.73 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.951 0.5 . . . . 0.0 111.676 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -88.14 -172.95 4.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.352 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.07 53.64 4.4 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 173.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.42 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 4.1 p-80 -87.13 165.31 32.15 Favored Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 122.747 0.419 . . . . 0.0 110.789 -175.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 80' ' ' HIS . 75.7 Cg_exo -51.45 145.1 29.68 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.035 2.49 . . . . 0.0 112.868 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -89.75 179.09 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.958 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -88.27 -149.84 19.31 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.512 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.447 ' CD2' ' HD2' ' A' ' 85' ' ' PRO . 70.8 t-105 -147.55 141.23 15.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.447 ' HD2' ' CD2' ' A' ' 84' ' ' TRP . 35.0 Cg_endo -66.89 110.47 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.736 2.291 . . . . 0.0 112.645 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.24 -51.26 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.799 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 56.48 39.58 29.9 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.483 0.658 . . . . 0.0 110.193 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -94.8 24.2 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.135 -175.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HA ' ' HE ' ' A' ' 89' ' ' ARG . 4.4 tpm_? -134.64 55.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.25 0.548 . . . . 0.0 111.106 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 -82.01 96.63 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -142.75 99.84 3.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.216 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -97.18 13.53 28.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.88 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -102.48 150.26 23.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.427 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -174.4 -153.37 9.88 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.11 -1.043 . . . . 0.0 112.211 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 67.01 171.03 0.25 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.534 0.683 . . . . 0.0 111.721 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -151.56 -73.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.059 172.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.533 ' HB1' ' HG2' ' A' ' 99' ' ' GLU . . . -169.61 -61.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.27 175.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.7 mp 56.15 46.94 20.51 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.215 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.533 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 76.8 mm-40 -73.47 106.17 5.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.591 -178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -87.89 105.73 17.63 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -89.59 133.96 34.36 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.995 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -120.69 90.91 3.42 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -78.6 -52.1 8.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.31 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 60.98 -179.07 0.11 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.217 0.532 . . . . 0.0 111.442 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.2 t60 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.681 -0.676 . . . . 0.0 109.291 178.524 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.887 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 10.8 mptt -80.37 155.81 27.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.044 0.45 . . . . 0.0 111.073 -177.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 6' ' ' LEU . 26.6 tp -65.33 -30.32 71.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.56 172.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 p -77.96 -14.5 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.868 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.887 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 52.6 mt-10 -84.69 -5.16 59.3 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.286 0.565 . . . . 0.0 110.631 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 3' ' ' LEU . 84.4 mt -76.72 168.41 20.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.763 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.536 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 28.1 mmtm -108.07 166.18 10.92 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 92.6 0.93 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.179 0.514 . . . . 0.0 110.243 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 -10.43 4.81 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.573 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.536 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 1.5 m-20 -70.78 134.89 47.78 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 111.184 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' HG2' HD12 ' A' ' 74' ' ' LEU . 30.3 ttm-85 -106.54 127.25 53.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.205 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.53 173.99 11.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.065 0.459 . . . . 0.0 111.239 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.645 ' HB2' HD21 ' A' ' 74' ' ' LEU . 44.6 tt0 -125.52 135.92 52.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.109 175.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG23 HD22 ' A' ' 38' ' ' LEU . 88.7 t -72.28 109.75 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.451 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 17.5 p -86.95 -30.44 21.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -161.27 149.51 15.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.636 0.255 . . . . 0.0 111.021 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.683 HG12 HG12 ' A' ' 69' ' ' ILE . 2.7 m -120.17 109.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.39 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.04 94.17 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.189 0.518 . . . . 0.0 111.229 -177.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.15 176.77 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.479 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.57 143.73 36.45 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 123.318 0.386 . . . . 0.0 110.106 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.44 -35.19 74.86 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 123.076 2.517 . . . . 0.0 112.516 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -69.0 -49.86 54.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 56.4 t -64.81 -43.78 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.336 0.589 . . . . 0.0 109.739 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HB3' ' HE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -54.05 -41.86 68.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.314 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -72.17 -45.86 58.73 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 95.5 mtt180 -59.01 -32.32 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.036 -177.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 93.3 mt -68.64 -46.07 70.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.356 -0.383 . . . . 0.0 109.977 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 27.5 mtm -65.8 -39.44 90.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -27.42 69.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.332 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 82.4 mt -76.6 -45.21 31.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.82 -0.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.427 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 4.9 tt -90.83 83.91 5.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 28' ' ' MET . 27.7 m -107.3 172.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.684 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD2' ' O ' ' A' ' 15' ' ' THR . 13.8 ttp85 -70.85 121.55 18.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -4.8 39.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.357 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 55' ' ' ASN . . . -75.28 132.02 40.74 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.763 -0.257 . . . . 0.0 110.622 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -92.69 129.9 38.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.583 ' CB ' ' HA ' ' A' ' 54' ' ' CYS . 2.4 pt? -137.05 164.89 27.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.063 0.458 . . . . 0.0 111.366 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -131.94 133.3 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.518 ' HA ' HG12 ' A' ' 52' ' ' VAL . 92.5 t -73.29 132.81 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.07 -56.05 2.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.734 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -158.02 156.66 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.501 ' CE2' HG11 ' A' ' 40' ' ' VAL . 76.2 m-85 -116.79 138.7 51.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.119 174.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -68.44 164.91 39.68 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 23.7 Cg_endo -61.08 6.35 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.774 0 C-N-CA 123.381 2.721 . . . . 0.0 114.163 -178.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.6 mt -132.22 11.71 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.25 19.62 70.53 Favored Glycine 0 C--N 1.332 0.347 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -172.77 128.89 0.56 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 114.72 -0.74 . . . . 0.0 109.099 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.04 -179.84 28.79 Favored 'Cis proline' 0 C--O 1.234 0.311 0 C-N-CA 123.321 -1.533 . . . . 0.0 113.164 -0.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.6 mt -121.08 135.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 -177.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.12 118.56 37.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 40' ' ' VAL . 27.5 m -131.98 149.28 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.059 0.457 . . . . 0.0 111.33 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 57' ' ' MET . 46.3 t-20 -102.95 100.85 10.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.583 ' HA ' ' CB ' ' A' ' 38' ' ' LEU . 51.6 t -101.45 107.04 18.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -174.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HB2' ' HB1' ' A' ' 36' ' ' ALA . 42.1 t30 63.14 31.24 15.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.507 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.76 22.1 21.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.536 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.489 ' HG2' HD22 ' A' ' 59' ' ' LEU . 33.8 ttp -138.22 129.41 27.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.534 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.71 110.32 22.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -134.74 134.32 40.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.239 0.543 . . . . 0.0 110.773 -177.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.1 m -102.18 120.92 41.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.172 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -136.26 179.51 6.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -91.85 159.93 15.55 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.029 0.443 . . . . 0.0 111.254 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HG2' ' HG2' ' A' ' 67' ' ' GLU . 70.2 ttt180 -65.45 -35.16 80.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.433 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -58.23 -30.13 66.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.125 0.488 . . . . 0.0 110.527 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.501 ' O ' HG13 ' A' ' 69' ' ' ILE . 29.9 mt-10 -75.61 -42.89 50.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.057 176.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.55 75.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.026 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 42.7 mm-40 -54.83 -43.86 73.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.191 0.52 . . . . 0.0 110.697 173.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.08 -28.5 73.79 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.394 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.683 HG12 HG12 ' A' ' 17' ' ' VAL . 76.9 mt -80.49 120.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.265 0.555 . . . . 0.0 111.065 -177.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.4 m -96.92 128.77 44.21 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.154 175.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.517 HG21 HD11 ' A' ' 6' ' ' LEU . 35.5 m -127.54 166.23 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.094 0.473 . . . . 0.0 111.153 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -128.09 126.74 41.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.972 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.86 132.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 111.069 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 13' ' ' GLU . 79.1 mt -81.62 79.36 8.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.705 -178.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.91 -170.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.223 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -98.32 34.97 4.87 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.699 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -105.66 107.58 18.65 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.51 100.21 4.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.764 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -134.3 29.64 3.01 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -150.67 158.57 35.39 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -78.15 127.62 8.52 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.668 2.245 . . . . 0.0 110.823 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -57.06 -59.55 4.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 110.749 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 176.8 142.92 4.58 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.602 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -123.33 143.52 41.42 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.603 0.239 . . . . 0.0 110.621 -179.292 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 1.5 Cg_endo -86.83 -176.7 2.03 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.324 2.683 . . . . 0.0 112.73 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.28 65.82 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.0 -45.4 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.829 -0.186 . . . . 0.0 111.24 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 62.53 85.97 0.12 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.614 0.571 . . . . 0.0 110.214 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -75.08 154.79 37.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.452 0.644 . . . . 0.0 112.437 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 90' ' ' ARG . 3.9 ptp180 -148.34 147.06 28.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.602 173.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -162.53 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 64.92 102.99 0.04 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.313 0.578 . . . . 0.0 111.787 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -153.89 -177.55 6.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.678 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.51 110.73 0.48 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.226 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -114.19 145.51 41.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 96' ' ' ARG . 15.0 ptt180 -83.35 174.06 11.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.764 -178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -132.48 132.83 43.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.956 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.43 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -128.89 129.49 45.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.075 0.464 . . . . 0.0 110.514 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -145.23 150.33 36.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.313 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -72.34 146.75 46.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -75.97 123.44 25.74 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.23 98.56 5.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.396 0.617 . . . . 0.0 110.711 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.99 -57.27 0.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -156.14 158.51 37.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.544 -1.207 . . . . 0.0 108.462 172.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.266 -176.351 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HE1' HG12 ' A' ' 73' ' ' ILE . 54.0 ttp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.718 0.294 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.896 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 14.1 mptt -83.3 159.28 21.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 6' ' ' LEU . 46.1 tp -65.64 -29.76 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.489 171.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.2 p -75.46 -10.88 59.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.389 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.896 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 41.0 mt-10 -93.84 -9.03 38.69 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.849 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 3' ' ' LEU . 81.6 mt -69.27 163.29 25.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.087 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.634 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 5.5 ptpp? -132.93 24.91 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.52 137.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.374 0.607 . . . . 0.0 111.483 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.22 5.8 86.95 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.634 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 70.2 m-20 -102.69 126.67 49.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.058 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -102.61 120.45 40.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.655 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -138.97 155.86 47.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.96 -175.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -104.4 141.31 36.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.47 109.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.594 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 p -83.69 -36.39 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.631 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -155.88 127.63 7.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.416 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.803 HG23 HG12 ' A' ' 69' ' ' ILE . 2.9 p -108.99 109.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.293 0.568 . . . . 0.0 110.858 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.3 141.41 37.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.156 176.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -172.6 -176.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.674 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.19 144.53 99.05 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -47.58 -46.1 21.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.404 2.736 . . . . 0.0 112.964 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.99 75.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.309 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.489 HG11 ' HG2' ' A' ' 65' ' ' GLU . 53.8 t -70.92 -43.78 76.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.842 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.592 ' O ' ' HG3' ' A' ' 28' ' ' MET . 5.5 tmm_? -62.21 -37.64 86.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.901 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -66.5 -47.18 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.923 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 tmt_? -61.61 -40.33 94.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.742 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -65.22 -38.64 91.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.761 177.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.2 mtm -71.82 -31.37 66.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.519 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.77 -30.11 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 83.8 mt -72.08 -43.27 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.39 5.78 0.48 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.827 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tt -92.35 92.97 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.107 0.48 . . . . 0.0 109.862 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.99 -178.13 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.855 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -67.56 120.57 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.53 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.27 0.46 40.94 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.134 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.69 128.89 36.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.536 0.207 . . . . 0.0 110.797 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 10.8 mptt -95.65 126.01 40.63 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 3.4 pp -130.9 154.92 47.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 0.0 111.738 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -125.9 123.67 39.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.087 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HA ' HG12 ' A' ' 52' ' ' VAL . 62.4 t -67.69 116.47 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 53' ' ' ASN . 68.0 mt -79.75 -56.88 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 -175.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -169.18 164.69 11.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 91.8 m-85 -108.28 156.92 18.83 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.655 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -65.05 167.78 8.93 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 171.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.655 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 11.1 Cg_endo -54.0 -7.16 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.158 2.572 . . . . 0.0 113.749 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -132.09 19.61 4.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 0.0 110.177 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.617 ' HA2' ' HB3' ' A' ' 43' ' ' PHE . . . 82.72 -40.72 2.79 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.185 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.28 132.05 21.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.893 0.477 . . . . 0.0 110.16 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 5.0 Cg_exo -80.19 -178.66 23.62 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 124.112 -1.203 . . . . 0.0 113.288 0.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.521 HG12 ' HD1' ' A' ' 43' ' ' PHE . 57.2 mt -117.09 134.47 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.691 -176.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -94.66 117.69 30.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.51 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 40' ' ' VAL . 18.7 m -130.93 140.93 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.217 0.532 . . . . 0.0 111.633 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.539 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 26.8 t-20 -94.76 100.9 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.562 ' HB3' HD23 ' A' ' 59' ' ' LEU . 50.9 t -109.33 114.57 28.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -174.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 63.52 29.37 15.34 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.658 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.22 14.31 80.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.739 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.1 ttm -118.22 142.5 47.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.9 mt -82.75 111.62 18.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.703 0.287 . . . . 0.0 110.339 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 54' ' ' CYS . 3.9 mm? -113.85 147.12 38.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.266 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.2 m -127.69 119.56 26.09 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.446 ' CE ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -135.02 168.03 19.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.566 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.585 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 13.8 mmm-85 -94.5 163.6 13.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.806 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -64.74 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.558 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -61.0 -33.85 73.9 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.575 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HG2' HG11 ' A' ' 23' ' ' VAL . 1.3 mp0 -74.99 -35.08 62.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.133 0.492 . . . . 0.0 110.03 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' HB2' ' CE ' ' A' ' 61' ' ' MET . . . -66.67 -29.69 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.805 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.35 -37.92 88.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.721 0.296 . . . . 0.0 110.586 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.08 -30.33 75.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.427 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.803 HG12 HG23 ' A' ' 17' ' ' VAL . 56.1 mt -81.69 121.17 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.974 0.416 . . . . 0.0 111.267 -175.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.7 m -101.41 132.46 46.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 6' ' ' LEU . 35.4 m -126.84 159.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.114 0.483 . . . . 0.0 111.794 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -123.77 121.71 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.464 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' A' ' 12' ' ' ALA . 23.5 mm -64.65 126.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.161 0.505 . . . . 0.0 111.735 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.57 81.91 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.713 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.91 -154.59 0.55 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.196 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.12 67.39 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.551 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -138.77 150.84 46.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.43 -85.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.322 -0.151 . . . . 0.0 110.603 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.49 -93.58 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.519 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.555 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 20.7 p-80 -142.12 164.06 36.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 80' ' ' HIS . 11.8 Cg_endo -56.42 103.18 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.517 2.145 . . . . 0.0 112.304 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -86.75 -3.41 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.63 78.44 0.92 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.485 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -71.97 143.77 86.94 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -46.94 98.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.347 2.698 . . . . 0.0 113.219 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.79 83.71 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.443 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -93.89 107.49 19.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.349 0.595 . . . . 0.0 110.55 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -111.06 118.35 35.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.007 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 89' ' ' ARG . 5.8 mtp-105 -112.63 148.74 33.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.536 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -93.76 117.11 29.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -79.66 108.51 13.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.644 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -100.05 137.96 37.78 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -104.37 143.59 32.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -172.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -122.64 105.23 0.94 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.735 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -89.25 144.68 25.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.764 0.316 . . . . 0.0 110.844 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.506 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 4.0 mmp_? -124.63 110.93 15.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.812 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.19 122.1 34.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.3 tp -116.69 120.01 37.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.086 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -121.43 132.58 54.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.594 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -167.73 137.09 2.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.514 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -126.43 126.87 44.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -76.33 -41.71 47.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.762 -173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.5 t60 57.79 69.7 0.71 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.228 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 60.8 m80 59.6 62.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.457 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.537 -0.744 . . . . 0.0 111.327 178.164 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.059 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 5.3 mptp? -72.81 152.88 41.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.541 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 6' ' ' LEU . 41.2 tp -65.32 -30.28 71.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.505 0.669 . . . . 0.0 109.327 171.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.5 t -76.46 -11.79 59.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.155 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 1.059 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 8.3 mm-40 -82.17 -14.6 55.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.651 0.263 . . . . 0.0 110.635 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 3' ' ' LEU . 89.0 mt -70.09 168.38 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 23.6 pttm -133.28 24.84 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -169.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 69.75 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.649 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.09 -7.62 64.6 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 26.9 m-20 -91.02 137.76 32.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.45 -178.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -113.68 125.1 53.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 173.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.43 156.82 47.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.274 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.805 ' HB2' HD21 ' A' ' 74' ' ' LEU . 35.7 tt0 -100.47 135.52 41.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.2 107.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.47 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.7 p -83.42 -34.78 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.172 0.511 . . . . 0.0 110.08 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -164.53 143.23 7.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.297 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.762 HG23 HG12 ' A' ' 69' ' ' ILE . 2.8 p -120.53 112.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.25 109.56 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.212 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.59 161.44 41.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.153 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.72 146.18 90.91 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -40.85 -52.91 3.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.951 3.101 . . . . 0.0 113.686 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.01 98.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.632 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 86.8 t -71.87 -42.02 69.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.618 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 28' ' ' MET . 6.2 tmm_? -63.33 -39.51 94.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.49 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 25' ' ' ARG . 15.4 ttp180 -72.6 -38.04 67.94 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.0 ttt-85 -58.5 -43.93 89.23 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.396 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 94.5 mt -64.12 -39.29 93.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.5 mtm -69.54 -34.36 74.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.785 0.326 . . . . 0.0 110.433 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -66.13 -28.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.07 -39.93 48.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.205 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.69 3.23 0.71 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.851 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.0 tt -92.18 97.39 10.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.981 0.42 . . . . 0.0 109.887 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.18 176.8 8.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.468 HH21 ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -69.25 116.23 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 105.81 -0.96 38.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.082 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.3 143.75 42.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.747 0.308 . . . . 0.0 110.599 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -104.22 120.49 41.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.2 pp -120.43 146.47 46.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.323 0.583 . . . . 0.0 111.406 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -123.03 120.28 32.86 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.708 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 8' ' ' ALA . 94.1 t -71.67 114.57 10.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.747 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -80.18 -49.15 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 44.8 ttt-85 -173.02 161.58 4.43 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.463 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 98.3 m-85 -115.22 144.54 43.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.574 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.29 166.12 11.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 24.5 Cg_endo -61.16 5.17 0.18 Allowed 'Trans proline' 0 N--CA 1.48 0.702 0 C-N-CA 123.107 2.538 . . . . 0.0 113.888 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.4 mt -133.43 6.28 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.715 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.88 4.82 86.19 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.135 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -149.83 126.2 5.21 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.33 -174.69 14.83 Favored 'Cis proline' 0 C--O 1.237 0.425 0 C-N-CA 123.559 -1.434 . . . . 0.0 113.61 1.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.443 HG22 HG13 ' A' ' 52' ' ' VAL . 68.3 mt -123.62 133.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.472 -177.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -101.12 117.21 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.659 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 40' ' ' VAL . 30.1 m -132.27 149.1 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 5.1 t30 -106.0 106.93 17.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.583 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.8 t -107.14 111.62 24.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.496 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 56.41 27.97 12.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.707 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.46 -2.8 63.11 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.282 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -100.78 130.59 46.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.062 0.431 . . . . 0.0 110.291 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.55 103.19 12.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -105.29 133.04 50.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.185 -175.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.5 m -102.77 119.89 39.63 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.3 mtm -130.49 169.15 15.93 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.43 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -95.75 175.07 6.66 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.767 177.772 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -65.25 -33.79 76.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -53.94 -49.83 67.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.148 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 69' ' ' ILE . 15.2 mp0 -62.85 -47.91 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.511 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.42 73.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.303 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 5.9 mm-40 -65.62 -41.46 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.221 0.534 . . . . 0.0 110.342 175.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.03 -31.08 74.5 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.722 -0.672 . . . . 0.0 113.067 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.762 HG12 HG23 ' A' ' 17' ' ' VAL . 61.7 mt -77.59 129.55 37.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.119 0.485 . . . . 0.0 111.885 -175.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -103.37 120.08 40.12 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.475 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.7 m -122.95 167.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.746 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -133.91 123.39 24.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.463 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.91 128.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.164 0.507 . . . . 0.0 111.415 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 13' ' ' GLU . 96.2 mt -84.07 83.35 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.667 -177.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.18 148.52 11.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.292 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.41 77.67 2.06 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -84.76 -173.21 4.6 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.39 -55.24 22.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.067 0.461 . . . . 0.0 110.913 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.37 72.05 0.32 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.063 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -76.16 144.36 75.06 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 120.667 0.27 . . . . 0.0 110.698 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.1 109.79 2.27 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 123.01 2.474 . . . . 0.0 113.07 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -78.61 156.79 28.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.968 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.97 174.96 42.91 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.573 ' CD2' ' HD2' ' A' ' 85' ' ' PRO . 62.9 t-105 -112.41 141.12 24.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 84' ' ' TRP . 80.9 Cg_endo -79.38 -0.08 10.44 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.652 2.235 . . . . 0.0 113.241 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.02 -66.01 1.61 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.896 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.512 ' O ' ' HD2' ' A' ' 88' ' ' ARG . 77.2 t80 62.22 91.14 0.07 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.175 0.512 . . . . 0.0 111.206 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' A' ' 87' ' ' PHE . 8.0 mpt_? -130.64 117.74 19.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.512 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 72.1 148.95 0.09 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.944 0.777 . . . . 0.0 111.946 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.871 ' HD3' ' H ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -91.06 176.16 6.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.189 178.54 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -119.39 -30.29 4.93 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.192 -0.203 . . . . 0.0 111.242 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -125.04 143.97 50.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.108 0.48 . . . . 0.0 111.519 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -122.78 101.7 7.6 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . -88.99 109.55 3.58 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 -163.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 94' ' ' GLY . 8.8 ptpp? 178.68 153.94 0.38 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.698 0.799 . . . . 0.0 108.872 167.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -159.68 137.85 10.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.32 104.5 14.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.442 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -112.53 30.01 7.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.171 0.51 . . . . 0.0 110.879 -175.055 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -112.19 136.0 52.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -101.08 81.8 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.411 0.624 . . . . 0.0 110.16 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -127.7 135.19 49.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.358 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -56.93 135.71 55.99 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.632 0.583 . . . . 0.0 111.479 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -147.79 149.33 32.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.774 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -103.82 -33.41 8.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.626 0.25 . . . . 0.0 111.179 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.878 179.734 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.928 0.394 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.906 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.1 mptt -81.97 158.78 23.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 -173.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.581 HD12 HD12 ' A' ' 6' ' ' LEU . 43.2 tp -65.81 -28.92 69.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.657 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -74.95 -20.74 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.649 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.906 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 54.4 mt-10 -87.0 -2.71 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.952 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.768 HD22 HD11 ' A' ' 73' ' ' ILE . 29.3 mt -71.58 175.95 5.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.7 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -121.07 161.62 21.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 108.59 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.493 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -3.32 25.83 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.019 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -80.58 137.95 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.792 0.329 . . . . 0.0 111.105 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.61 HH22 ' HB3' ' A' ' 87' ' ' PHE . 81.8 mtt180 -100.91 131.73 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.611 175.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.95 159.37 42.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.185 0.516 . . . . 0.0 111.53 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.523 ' HB2' HD21 ' A' ' 74' ' ' LEU . 40.7 tt0 -116.99 128.09 54.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.58 123.69 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.791 0.329 . . . . 0.0 110.961 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 p -103.45 -28.24 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' THR . 60.2 m -154.69 144.29 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.625 0.25 . . . . 0.0 111.044 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.424 HG13 HG12 ' A' ' 69' ' ' ILE . 22.4 t -128.67 128.95 68.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.513 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.52 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -134.27 118.82 17.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.737 0.303 . . . . 0.0 110.565 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.39 177.7 10.97 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -59.6 145.34 83.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -45.39 -52.03 7.15 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.711 2.941 . . . . 0.0 113.971 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.08 59.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 0.0 111.086 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.95 -42.24 46.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -63.8 -38.94 92.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.519 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -56.02 -47.67 77.39 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 174.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -60.89 -43.8 97.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.77 -48.57 78.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.688 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.611 ' SD ' HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -69.73 -29.24 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.962 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.9 -41.49 91.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.23 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.3 -63.51 1.05 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.993 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 163.87 30.76 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -105.57 87.64 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.611 HG12 ' SD ' ' A' ' 28' ' ' MET . 35.5 m -132.59 179.55 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -67.45 117.59 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 -3.45 49.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.133 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.19 130.77 39.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -108.56 126.66 53.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.656 -175.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -136.16 165.3 26.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.211 0.529 . . . . 0.0 111.741 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -127.55 129.15 46.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.861 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.798 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.3 t -69.64 129.61 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.108 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.838 HD11 HD22 ' A' ' 58' ' ' LEU . 86.1 mt -92.77 -59.48 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.146 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -166.69 161.95 16.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.086 0.469 . . . . 0.0 110.254 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.434 ' HD1' HG12 ' A' ' 50' ' ' ILE . 75.6 m-85 -113.79 150.99 32.64 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -71.29 164.22 59.15 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 28.9 Cg_endo -62.13 6.1 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.6 0 C-N-CA 123.348 2.699 . . . . 0.0 114.125 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.65 6.28 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.42 6.77 86.81 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.694 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -151.12 124.99 4.38 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.84 -176.51 14.86 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.596 -1.418 . . . . 0.0 112.828 -0.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.476 HG22 HG13 ' A' ' 52' ' ' VAL . 61.1 mt -118.99 134.32 62.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.298 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.05 118.83 37.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.6 m -136.86 144.07 33.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.754 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -88.94 101.11 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 38.0 t -114.58 121.62 44.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.38 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 64.38 25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.789 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.89 -7.4 67.53 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.006 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.509 ' HB2' HD21 ' A' ' 59' ' ' LEU . 62.1 mtm -113.23 137.84 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.843 0.322 . . . . 0.0 111.023 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.838 HD22 HD11 ' A' ' 41' ' ' LEU . 43.7 mt -75.3 101.95 4.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 57' ' ' MET . 9.6 mt -100.83 152.14 20.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -176.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.5 m -134.9 120.21 18.99 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.235 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.58 173.4 11.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.147 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.485 ' HD3' ' N ' ' A' ' 62' ' ' ARG . 1.0 OUTLIER -90.71 165.77 13.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.264 0.554 . . . . 0.0 111.167 -175.484 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -65.07 -27.52 68.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.731 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.415 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 25.9 m-20 -54.12 -46.25 72.11 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.304 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.5 mp0 -68.11 -49.19 62.75 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.468 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.18 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.079 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.104 0.478 . . . . 0.0 110.755 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.52 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.93 -20.33 72.49 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.141 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 65' ' ' GLU . 43.5 mt -92.34 124.83 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.259 0.552 . . . . 0.0 111.12 -176.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 16' ' ' SER . 56.7 m -99.52 129.31 45.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.204 175.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.56 HG21 HD11 ' A' ' 6' ' ' LEU . 32.7 m -125.46 163.06 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.991 0.424 . . . . 0.0 111.325 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -126.76 124.5 39.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.547 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.768 HD11 HD22 ' A' ' 6' ' ' LEU . 21.9 mm -64.94 128.75 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -178.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 13' ' ' GLU . 85.7 mt -83.77 70.25 10.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.24 99.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.81 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.71 36.14 0.57 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.192 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -142.95 102.18 3.97 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.87 150.46 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.4 12.15 49.28 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -174.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -81.33 154.34 71.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.132 -0.534 . . . . 0.0 110.654 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.54 121.75 9.24 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.561 2.174 . . . . 0.0 111.679 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -141.09 99.25 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.232 0.539 . . . . 0.0 110.338 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -164.36 21.63 0.15 Allowed Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.763 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -134.34 143.91 48.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.12 161.54 3.45 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.959 2.439 . . . . 0.0 113.057 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.74 172.54 55.17 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.739 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.61 ' HB3' HH22 ' A' ' 11' ' ' ARG . 82.1 t80 -114.0 160.46 18.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 76.06 130.8 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 124.222 0.951 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -91.02 163.8 14.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.02 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -75.08 103.34 5.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.163 0.506 . . . . 0.0 109.637 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -104.26 172.35 6.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.102 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -61.61 148.55 42.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.747 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -84.11 132.41 34.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.568 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.67 93.22 0.92 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.13 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -83.43 150.48 26.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.772 0.32 . . . . 0.0 110.547 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -125.06 116.15 21.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.125 0.488 . . . . 0.0 110.042 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.14 136.13 37.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.615 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 94.6 mt -82.4 119.49 24.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.543 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -105.44 89.55 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.844 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -109.64 -40.7 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.47 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.4 m170 69.08 157.59 0.15 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.908 0.755 . . . . 0.0 111.261 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -88.29 59.03 5.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.185 0.517 . . . . 0.0 111.282 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -82.61 -28.09 31.04 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 171.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' CG ' ' H ' ' A' ' 105' ' ' HIS . 9.0 t-80 64.5 -165.96 0.23 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.595 177.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.42 ' H ' ' CG ' ' A' ' 104' ' ' HIS . 93.7 m-70 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.115 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HG3' ' OE1' ' A' ' 5' ' ' GLU . 37.5 ttp . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.784 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 5.3 mptp? -77.89 152.63 33.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.021 0.438 . . . . 0.0 111.286 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 6' ' ' LEU . 34.7 tp -65.31 -30.18 71.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.288 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -77.17 -13.39 59.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.241 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.784 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 61.3 mt-10 -93.47 -0.72 56.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.411 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 3' ' ' LEU . 43.3 mt -78.95 179.29 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 111.856 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.9 157.6 44.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.709 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 111.74 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.337 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.12 -6.2 21.68 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.174 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 152.79 27.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.615 0.245 . . . . 0.0 110.508 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -131.31 124.11 29.75 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.59 163.24 33.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.414 . . . . 0.0 111.516 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -111.9 128.22 56.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 49.3 t -68.93 125.74 27.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.052 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.466 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 16.3 p -103.67 -20.93 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.756 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.1 t -165.04 136.04 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 110.898 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.682 HG13 HG12 ' A' ' 69' ' ' ILE . 21.5 t -112.38 108.77 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.577 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.27 131.72 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.853 0.359 . . . . 0.0 110.761 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.84 -178.48 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.29 143.45 79.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -45.73 -48.31 12.43 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.495 2.797 . . . . 0.0 113.34 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.78 62.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.79 0.328 . . . . 0.0 111.412 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.63 -40.16 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.201 0.524 . . . . 0.0 110.432 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' MET . 23.2 ttm180 -57.3 -51.68 68.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.478 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -72.4 -26.08 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.102 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 18.8 ttt180 -62.28 -40.62 96.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 ' HG2' ' A' ' 65' ' ' GLU . 84.1 mt -75.07 -38.88 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 94.7 mtp -65.55 -40.86 93.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.201 0.524 . . . . 0.0 110.403 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -26.22 66.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.639 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.5 mt -71.17 -41.43 70.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.0 1.28 0.71 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.434 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.54 87.94 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.2 m -133.26 -176.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' HA ' ' A' ' 15' ' ' THR . 11.1 ttm180 -64.18 124.66 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.7 -9.03 47.63 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -70.68 113.55 7.89 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -93.96 117.21 29.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.8 pp -129.05 156.57 43.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.291 0.567 . . . . 0.0 112.13 -173.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -124.38 128.26 48.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.426 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.6 t -72.92 122.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.2 mt -82.49 -65.98 0.94 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.279 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -153.47 163.41 40.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.435 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -107.04 145.28 32.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.332 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.53 163.23 28.24 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 24.4 Cg_endo -61.62 6.11 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.19 2.593 . . . . 0.0 114.078 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -132.59 10.88 4.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 0.0 110.062 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.87 13.78 78.67 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.946 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -168.57 129.09 1.06 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.822 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 90.6 Cg_endo -80.5 -168.13 6.56 Favored 'Cis proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.549 -1.438 . . . . 0.0 113.575 0.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.0 mt -124.89 138.84 52.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.534 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.4 118.06 36.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.2 m -126.83 138.63 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.148 0.499 . . . . 0.0 111.24 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 22.0 t-20 -92.93 101.3 13.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.576 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 48.2 t -105.82 113.24 26.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 65.57 21.4 11.72 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.759 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.87 72.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.473 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.0 ttp -118.29 141.25 48.71 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 112.14 19.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.111 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 54' ' ' CYS . 3.6 mm? -114.03 145.33 41.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.2 m -135.14 120.46 19.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.636 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.49 ' CE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -140.96 165.94 26.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -178.076 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.822 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 11.7 mmm-85 -92.03 165.62 13.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.248 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -63.78 -35.83 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.216 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.03 -28.01 68.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.734 0.302 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.591 ' HG2' HD11 ' A' ' 27' ' ' LEU . 2.6 mp0 -75.53 -47.87 25.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 171.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.49 ' HB2' ' CE ' ' A' ' 61' ' ' MET . . . -60.2 -29.74 68.92 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 4.3 mm-40 -65.13 -45.33 85.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 175.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.577 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.11 -34.28 85.9 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.568 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 17' ' ' VAL . 53.6 mt -74.33 125.38 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.087 0.47 . . . . 0.0 110.716 -177.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.5 m -113.64 126.32 55.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.19 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.428 HG21 HD11 ' A' ' 6' ' ' LEU . 29.3 m -119.68 157.29 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.124 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -109.48 127.0 54.11 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.13 124.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.446 0.641 . . . . 0.0 112.537 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.7 mt -90.89 85.02 5.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.614 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.91 -178.62 6.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.035 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.06 -108.84 3.15 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.375 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -162.88 172.99 14.29 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 69.33 95.32 0.07 Allowed 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.836 0.71 . . . . 0.0 110.627 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.451 ' O ' ' HD3' ' A' ' 81' ' ' PRO . . . -161.29 -157.19 8.65 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -113.34 87.99 12.16 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 79' ' ' GLY . 10.1 Cg_exo -70.25 110.28 2.61 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 123.278 2.652 . . . . 0.0 114.017 -170.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -111.21 -44.73 3.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.002 170.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.33 144.54 17.09 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.916 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -130.79 142.24 44.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.1 -53.99 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.664 2.242 . . . . 0.0 112.514 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.79 -152.61 19.1 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.884 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -127.54 103.92 7.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.747 0.308 . . . . 0.0 110.485 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -82.21 -4.49 57.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.244 0.545 . . . . 0.0 110.205 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.633 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -126.18 133.7 51.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.879 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -142.94 148.48 36.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.152 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 47.6 m80 61.2 -169.38 0.17 Allowed 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.815 0.697 . . . . 0.0 111.498 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.452 HH11 ' HD3' ' A' ' 92' ' ' ARG . 10.8 ptp180 -170.94 31.84 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.632 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 92' ' ' ARG . 91.0 m-85 69.42 177.82 0.26 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.482 -176.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 142.73 -151.91 23.47 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.535 ' HD3' ' N ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -145.12 116.98 8.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.304 0.573 . . . . 0.0 110.471 178.295 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -105.86 98.68 8.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.602 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.03 109.26 12.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.694 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 98' ' ' LEU . 1.2 tm? -86.25 87.09 7.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 174.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.09 151.75 41.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.985 -174.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -80.49 164.0 23.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.2 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -135.76 131.9 36.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.788 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 65.3 174.18 0.21 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.735 175.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -111.1 144.27 40.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.322 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 39.9 m80 59.55 -163.91 0.22 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.507 0.504 . . . . 0.0 111.12 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 19.9 t60 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.546 171.858 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.814 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 9.5 mptt -91.83 153.4 19.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 6' ' ' LEU . 41.9 tp -65.43 -29.84 70.57 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.997 174.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 p -74.19 -15.52 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.405 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.814 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 80.0 mt-10 -88.77 -14.75 36.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.926 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 3' ' ' LEU . 17.1 mt -62.76 167.0 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.374 0.607 . . . . 0.0 111.818 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -111.31 160.54 16.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.951 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.18 104.38 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.916 0.388 . . . . 0.0 110.418 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.39 -5.75 21.28 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.831 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 146.7 29.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.511 . . . . 0.0 111.569 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -111.81 128.48 56.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.878 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.14 167.0 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 112.383 -175.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.642 ' HB2' HD21 ' A' ' 74' ' ' LEU . 4.5 tp10 -111.56 133.45 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.588 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 38' ' ' LEU . 85.3 t -77.32 109.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.111 176.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 p -89.17 -41.31 12.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 110.508 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -154.68 106.26 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.115 0.483 . . . . 0.0 110.655 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.878 HG23 HG12 ' A' ' 69' ' ' ILE . 2.4 p -86.68 109.81 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.252 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.93 140.83 38.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.943 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.67 -176.92 1.33 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 tp10 -58.88 143.13 83.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.54 ' HD2' ' HG3' ' A' ' 20' ' ' GLU . 4.1 Cg_endo -50.08 -43.42 42.42 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.767 2.311 . . . . 0.0 112.34 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -41.44 85.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.484 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -73.36 -44.46 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.327 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 24' ' ' ARG . 19.3 ttp85 -59.61 -42.67 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.055 178.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -57.95 -45.5 86.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.474 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 62.9 ttt180 -65.68 -46.41 79.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.617 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.1 -46.48 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.2 mtp -64.75 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.796 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.89 -30.24 63.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.3 mt -71.79 -44.05 64.63 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.19 -9.69 0.44 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.969 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -79.7 89.53 5.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.375 0.607 . . . . 0.0 109.836 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.87 179.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.901 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -66.11 114.92 5.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.13 37.46 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.252 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.4 114.12 14.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.66 0.266 . . . . 0.0 110.807 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.65 127.23 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 14' ' ' VAL . 2.5 pt? -137.68 156.86 47.56 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.239 0.542 . . . . 0.0 111.278 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -132.38 132.68 43.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.957 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -73.8 116.0 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.911 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 58' ' ' LEU . 75.2 mt -78.98 -55.48 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.794 -175.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -168.88 163.22 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.435 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -108.26 151.4 26.01 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -67.62 166.02 25.6 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 173.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.1 Cg_endo -59.66 5.28 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 123.295 2.664 . . . . 0.0 114.382 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.03 12.63 4.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 4.92 75.01 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.14 -0.552 . . . . 0.0 111.79 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -160.88 132.24 3.94 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 85.6 Cg_endo -77.45 -168.21 6.69 Favored 'Cis proline' 0 C--O 1.236 0.383 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.604 1.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.482 HD11 ' HG3' ' A' ' 63' ' ' ARG . 46.9 mt -128.31 139.05 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 -176.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -96.67 123.08 40.25 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.37 140.85 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 111.501 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' A' ' 41' ' ' LEU . 45.4 t-20 -95.85 101.58 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 59' ' ' LEU . 47.5 t -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.411 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 58.9 29.7 19.2 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.939 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.02 63.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.682 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.7 mtm -108.94 138.9 44.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.817 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 41' ' ' LEU . 56.7 mt -95.56 104.47 16.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.924 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -127.8 133.16 49.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.55 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 m -104.48 121.61 43.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.921 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.11 175.96 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.165 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.532 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 3.5 mmm180 -89.88 150.59 22.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.415 -174.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HG3' HD11 ' A' ' 50' ' ' ILE . 57.9 ttt-85 -62.99 -32.49 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.053 -175.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.677 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 4.2 mm-40 -73.58 -40.8 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.701 . . . . 0.0 109.253 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 69' ' ' ILE . . . -66.1 -25.24 66.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.802 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.97 -43.91 97.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.076 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.85 -30.54 76.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.331 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.878 HG12 HG23 ' A' ' 17' ' ' VAL . 51.2 mt -74.46 117.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -98.32 123.34 42.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.865 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.7 m -126.1 164.74 25.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.699 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -131.46 126.84 36.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.7 mt -61.2 129.41 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 13' ' ' GLU . 83.8 mt -82.0 84.86 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.945 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.99 179.95 8.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.67 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.93 -161.62 30.9 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.86 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -81.26 99.54 8.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.993 0.425 . . . . 0.0 110.056 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 108.15 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.688 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.83 33.44 0.39 Allowed Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -136.99 153.97 75.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.73 83.5 0.23 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.308 2.005 . . . . 0.0 111.468 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 80.9 t60 57.59 85.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.59 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.72 22.52 33.16 Favored Glycine 0 CA--C 1.517 0.158 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.712 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -112.36 150.88 43.25 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 122.747 -0.267 . . . . 0.0 110.885 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.06 120.22 8.0 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.003 2.469 . . . . 0.0 112.212 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.07 -146.49 18.83 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.036 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' O ' ' HD2' ' A' ' 88' ' ' ARG . 25.9 p90 -159.63 112.94 2.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.849 0.357 . . . . 0.0 110.465 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HD2' ' O ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -128.66 101.56 6.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.358 0.599 . . . . 0.0 111.172 178.651 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -138.59 81.75 1.87 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -108.71 8.18 26.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.328 -169.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -77.34 71.68 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 0.0 110.773 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -165.86 103.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.154 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -96.5 -45.61 6.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.708 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.92 139.23 5.69 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.309 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -145.1 108.89 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -82.23 125.24 30.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.272 0.558 . . . . 0.0 112.193 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.84 119.67 38.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 171.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.94 94.33 2.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.408 0.623 . . . . 0.0 111.372 -178.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -139.67 79.8 1.74 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.75 0.786 . . . . 0.0 110.67 178.783 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -73.52 -68.03 0.54 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.001 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 63.54 105.09 0.03 OUTLIER 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.985 0.803 . . . . 0.0 111.236 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -117.58 152.83 34.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.97 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -136.81 169.92 16.94 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -140.59 159.49 42.08 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.178 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 20.9 t60 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.529 -0.748 . . . . 0.0 109.68 -176.241 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.887 0.375 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.873 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -84.58 155.08 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -175.684 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 6' ' ' LEU . 36.1 tp -65.7 -31.54 72.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.75 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 7.1 p -76.34 -14.47 60.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.766 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.873 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 91.6 mt-10 -87.31 -6.67 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 3' ' ' LEU . 76.2 mt -72.26 164.69 25.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.73 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -132.62 31.82 3.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.47 136.85 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.59 0.756 . . . . 0.0 112.065 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.06 -7.82 76.21 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.871 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 23.5 m-20 -79.76 134.68 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.177 0.191 . . . . 0.0 110.995 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.14 119.6 39.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -134.54 142.71 47.08 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.455 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' OE1' ' HE2' ' A' ' 37' ' ' LYS . 35.6 tt0 -91.58 131.79 36.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.273 174.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 86.0 t -79.49 115.28 21.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.127 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.427 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 14.7 p -97.87 -34.46 10.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.406 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -154.03 146.09 23.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.734 HG13 HG12 ' A' ' 69' ' ' ILE . 41.7 t -125.7 113.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.497 -177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.58 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -104.9 118.45 36.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.35 177.39 11.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.365 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.53 141.53 97.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.03 -46.66 15.69 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.385 2.723 . . . . 0.0 113.664 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.69 -39.66 57.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.91 0.386 . . . . 0.0 111.097 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.15 -37.7 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.87 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -57.68 -47.6 81.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.828 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -66.72 -32.34 73.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.513 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 79.1 ttt180 -63.52 -42.88 98.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.104 0.478 . . . . 0.0 109.807 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.16 -45.61 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.169 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.4 mtp -62.38 -44.92 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.838 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.52 -41.12 72.7 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.365 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 93.9 mt -69.01 -37.37 78.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.81 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 0.68 1.0 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.188 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -82.87 90.97 7.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.172 0.511 . . . . 0.0 109.911 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -135.71 -176.56 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.415 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 37.2 ttm180 -68.21 129.51 40.14 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.736 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.31 -14.59 54.72 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.78 132.98 46.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.545 ' HE2' ' OE1' ' A' ' 13' ' ' GLU . 86.3 mttt -123.98 117.52 24.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 -175.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.563 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.1 pp -123.14 164.9 17.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.956 -169.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 30.0 ttpt -122.03 128.06 50.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.47 172.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.616 ' HA ' HG12 ' A' ' 52' ' ' VAL . 66.3 t -68.59 118.41 12.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.098 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.84 -61.65 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.632 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -167.12 163.52 15.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.03 0.443 . . . . 0.0 110.397 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -106.59 146.92 30.09 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.41 165.39 14.47 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.5 Cg_endo -60.76 5.46 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.097 2.531 . . . . 0.0 114.299 -176.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -134.17 11.4 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.786 0.327 . . . . 0.0 110.692 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.45 -6.81 71.05 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.348 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.92 134.63 9.71 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -80.08 -173.35 12.49 Favored 'Cis proline' 0 C--O 1.237 0.43 0 C-N-CA 123.895 -1.294 . . . . 0.0 113.066 1.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.9 mt -121.49 135.84 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.193 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.51 124.63 50.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.6 m -134.38 149.53 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.69 101.69 11.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.563 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 42.3 t -105.18 109.35 21.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.93 -176.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 61.79 30.61 18.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.551 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -6.68 67.33 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.446 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -99.03 128.69 45.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 0.0 110.488 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.72 109.92 22.13 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -135.03 139.55 44.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 111.453 -176.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.3 m -110.78 129.13 55.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.148 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.14 176.82 8.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.53 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -84.01 151.88 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -57.67 -29.62 64.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.889 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -54.65 -44.04 72.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.562 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.6 mp0 -72.47 -40.9 66.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.779 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' A' ' 4' ' ' SER . . . -62.98 -31.51 72.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.45 -177.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 27.1 mm-40 -62.04 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.202 0.525 . . . . 0.0 110.381 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.58 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.52 -34.17 83.52 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.927 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HG13 ' A' ' 17' ' ' VAL . 57.7 mt -74.09 123.17 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.113 0.483 . . . . 0.0 111.026 -176.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -100.66 122.03 42.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.584 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.503 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 26.8 m -122.01 161.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -176.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -127.2 117.29 22.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.45 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.66 127.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.939 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.8 mt -82.76 59.98 5.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 110.89 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -179.28 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.675 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.37 149.25 19.21 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.12 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 t70 62.92 -159.05 0.32 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.25 0.62 . . . . 0.0 110.678 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.45 129.61 34.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.653 0.263 . . . . 0.0 110.497 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.97 165.93 21.09 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.92 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -94.57 155.43 39.55 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -47.74 -55.3 4.11 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.65 2.9 . . . . 0.0 113.369 -175.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -102.37 83.98 2.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.099 0.476 . . . . 0.0 110.535 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.05 -77.17 0.88 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 8.3 m95 71.02 150.32 0.13 Allowed Pre-proline 0 N--CA 1.461 0.081 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.01 -20.3 25.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.614 2.209 . . . . 0.0 112.071 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.31 -112.13 3.5 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.983 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -113.32 136.04 53.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.835 0.35 . . . . 0.0 110.406 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -101.23 106.32 17.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.298 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -108.33 103.95 13.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -149.89 100.5 2.95 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.799 -171.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -158.46 127.97 5.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.31 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -167.15 -18.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -79.67 103.14 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.487 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -138.42 44.05 1.14 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -105.4 93.14 4.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.738 0.304 . . . . 0.0 110.185 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.433 ' H ' ' NE ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -86.92 126.23 34.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.66 119.24 12.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.47 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 1.8 pt? -153.53 110.16 3.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.624 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -92.15 134.33 34.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.668 -176.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -125.79 111.18 14.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.883 0.373 . . . . 0.0 111.007 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 44.2 t-80 -142.24 169.21 18.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 176.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 101' ' ' HIS . 89.5 m-70 68.68 89.03 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.814 0.696 . . . . 0.0 110.626 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -146.05 85.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.138 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 44.48 80.6 0.04 OUTLIER 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.175 0.922 . . . . 0.0 112.425 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.191 178.645 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HA ' ' OE1' ' A' ' 5' ' ' GLU . 26.8 ttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.944 0.402 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -91.79 157.61 16.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -171.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 6' ' ' LEU . 27.8 tp -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.61 0.719 . . . . 0.0 109.2 169.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 4.7 t -74.71 -12.52 60.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.072 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 51.6 tt0 -99.33 0.34 42.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.936 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 3' ' ' LEU . 71.7 mt -79.45 172.02 14.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 176.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -115.51 159.18 21.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.327 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 102.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 110.286 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.4 -12.31 7.97 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.724 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.92 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.098 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -130.24 127.93 40.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.632 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.68 165.76 30.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.692 0.282 . . . . 0.0 111.283 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 8.6 pt-20 -107.84 145.87 33.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.615 HG11 HG22 ' A' ' 17' ' ' VAL . 74.2 t -81.11 119.34 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.949 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.9 p -92.06 -30.98 15.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -154.58 136.67 14.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.766 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.615 HG22 HG11 ' A' ' 14' ' ' VAL . 20.6 t -111.11 108.72 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.506 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.28 117.73 34.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 110.158 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.91 172.49 13.91 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 4.2 tm-20 -61.18 140.79 94.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 2.1 Cg_endo -49.39 -40.14 44.3 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.886 2.39 . . . . 0.0 113.022 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.42 82.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.046 0.451 . . . . 0.0 110.797 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.647 HG11 ' HG3' ' A' ' 65' ' ' GLU . 84.8 t -69.47 -40.28 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.133 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.35 -47.16 82.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.993 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -58.03 -43.47 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -65.79 -38.45 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.964 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -69.77 -44.07 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.904 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.6 mtp -62.25 -32.99 73.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.836 175.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -89.05 15.88 7.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.875 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.83 12.41 83.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.052 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tt -87.95 87.92 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.329 0.585 . . . . 0.0 109.543 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.33 -173.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.324 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -70.15 118.11 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.018 0.437 . . . . 0.0 110.36 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.95 -4.06 52.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.903 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.59 119.76 16.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.155 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 38.7 mttp -98.86 122.45 42.11 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.9 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 38' ' ' LEU . 2.4 pt? -133.78 155.08 50.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.35 0.595 . . . . 0.0 111.388 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -114.27 127.47 55.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.891 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.66 110.72 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 53' ' ' ASN . 86.0 mt -79.92 -62.02 1.81 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.939 -174.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -154.67 150.04 27.22 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.064 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -101.26 148.39 25.17 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -63.56 161.28 36.46 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 23.4 Cg_endo -60.95 5.56 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.992 2.461 . . . . 0.0 113.918 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 44' ' ' ALA . 64.8 mt -131.69 12.14 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.759 0.314 . . . . 0.0 110.38 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.38 -14.07 52.29 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.405 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.63 138.11 12.46 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -81.01 -169.91 8.05 Favored 'Cis proline' 0 C--O 1.235 0.372 0 C-N-CA 124.016 -1.243 . . . . 0.0 112.896 -0.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.732 HD11 ' HG3' ' A' ' 63' ' ' ARG . 43.3 mt -121.28 138.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.293 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -105.75 114.04 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.066 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.435 ' HB ' HD12 ' A' ' 38' ' ' LEU . 21.8 m -120.76 144.26 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.167 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.437 ' HB2' HD11 ' A' ' 41' ' ' LEU . 39.7 t30 -101.84 100.86 11.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.524 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.03 119.44 38.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.88 27.98 16.9 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.045 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.29 16.22 59.35 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 mtm -123.46 132.4 53.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.87 102.14 13.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.201 0.524 . . . . 0.0 110.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.33 126.67 54.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.068 -177.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.4 m -101.41 121.24 41.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.684 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -139.39 169.88 16.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.574 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -75.29 147.01 40.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 110.955 -174.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.732 ' HG3' HD11 ' A' ' 50' ' ' ILE . 64.4 ttt180 -65.28 -30.59 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.715 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -60.01 -40.65 89.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.647 ' HG3' HG11 ' A' ' 23' ' ' VAL . 11.9 mm-40 -75.68 -31.09 59.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.389 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 4' ' ' SER . . . -61.73 -26.71 68.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.297 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -64.34 -44.71 90.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.616 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.11 -26.59 72.47 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.172 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.54 HG12 HG13 ' A' ' 17' ' ' VAL . 50.1 mt -74.84 115.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.187 0.517 . . . . 0.0 110.399 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -94.74 133.4 38.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.596 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.518 HG21 HD11 ' A' ' 6' ' ' LEU . 27.4 m -129.13 167.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.635 0.731 . . . . 0.0 112.214 -174.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -133.47 120.37 20.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.185 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' HE1' ' A' ' 1' ' ' MET . 61.3 mt -66.97 126.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 111.48 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt -99.23 65.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.572 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.65 97.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.302 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.94 120.16 0.9 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.451 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -88.06 162.28 16.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 64.77 93.1 0.06 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.753 0.658 . . . . 0.0 111.402 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 158.45 -45.89 0.46 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.067 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 63.55 85.38 0.17 Allowed Pre-proline 0 N--CA 1.465 0.292 0 CA-C-O 121.057 0.456 . . . . 0.0 110.139 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.09 146.8 83.01 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.979 2.453 . . . . 0.0 112.602 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -90.1 102.14 14.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.813 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.17 -164.54 30.29 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.26 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.28 143.94 20.22 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -67.02 -28.05 41.91 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.506 2.137 . . . . 0.0 111.993 177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.53 -156.59 32.02 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.691 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -129.97 161.03 31.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.819 0.343 . . . . 0.0 110.546 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -120.99 129.0 53.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.877 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -61.32 132.98 55.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -82.43 96.46 7.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.96 0.409 . . . . 0.0 110.085 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -74.28 134.11 42.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.611 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -73.22 145.37 46.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.758 0.313 . . . . 0.0 110.534 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -112.41 121.16 44.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.499 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.13 148.33 18.76 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.49 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -99.13 156.5 16.92 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -94.54 153.09 18.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.689 0.28 . . . . 0.0 110.472 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.55 160.3 14.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.607 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.6 mt -83.35 155.42 23.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.921 0.391 . . . . 0.0 110.592 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.49 124.57 32.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.637 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -108.34 155.28 20.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 68.3 -172.46 0.19 Allowed 'General case' 0 CA--C 1.538 0.505 0 O-C-N 123.953 0.783 . . . . 0.0 110.536 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.6 m80 67.5 21.19 9.64 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.05 0.54 . . . . 0.0 111.229 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -111.94 103.62 11.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.6 m80 63.31 -166.73 0.22 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.49 -174.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.77 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.666 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -92.87 157.48 16.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.097 0.475 . . . . 0.0 112.172 -176.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 6' ' ' LEU . 29.3 tp -66.28 -34.83 78.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.034 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 66' ' ' ALA . 55.4 m -74.89 -13.46 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.639 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.666 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 59.3 mt-10 -88.11 -3.93 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.091 0.472 . . . . 0.0 110.442 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 3' ' ' LEU . 76.4 mt -79.1 178.1 8.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.76 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -123.68 159.76 28.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.328 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.31 109.77 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.461 . . . . 0.0 110.147 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.3 -21.67 6.8 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.699 -175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -79.34 142.44 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 111.154 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' HB3' HD12 ' A' ' 74' ' ' LEU . 80.0 mtm180 -108.6 147.39 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.206 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -149.27 161.43 42.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.896 0.379 . . . . 0.0 111.565 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HB2' HD21 ' A' ' 74' ' ' LEU . 39.1 tt0 -113.03 125.31 54.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.95 121.95 20.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.729 0.299 . . . . 0.0 111.015 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 p -98.1 -36.52 10.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -158.84 137.14 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.877 HG23 HG12 ' A' ' 69' ' ' ILE . 6.1 p -117.08 135.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.532 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.569 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -133.85 114.5 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.143 0.496 . . . . 0.0 110.711 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB1' ' OE2' ' A' ' 65' ' ' GLU . . . -154.35 -178.75 7.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.58 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.46 143.87 95.79 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.43 -48.81 18.6 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.894 2.396 . . . . 0.0 112.673 -174.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.53 83.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.52 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.758 HG11 ' HG3' ' A' ' 65' ' ' GLU . 74.3 t -75.42 -39.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.152 0.501 . . . . 0.0 110.174 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.36 -48.29 82.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.11 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.79 -37.32 84.32 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.605 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.587 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 70.9 mtt85 -55.69 -43.34 76.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.354 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.45 -41.46 89.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.0 mtp -65.69 -37.66 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.25 -33.01 63.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 80.5 mt -66.97 -41.02 87.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.99 18.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.892 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -104.02 93.5 4.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.155 0.502 . . . . 0.0 109.951 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.56 -173.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.566 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -71.31 127.94 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.81 -0.77 67.63 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.862 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -76.03 127.76 33.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 110.386 176.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HB3' HD11 ' A' ' 74' ' ' LEU . 91.5 mttt -102.03 127.09 49.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.854 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD12 ' HB ' ' A' ' 52' ' ' VAL . 2.1 pt? -138.6 154.46 48.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -176.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -112.97 130.1 56.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.422 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.628 ' HA ' HG12 ' A' ' 52' ' ' VAL . 58.4 t -70.8 116.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 53' ' ' ASN . 85.8 mt -86.51 -65.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.29 -174.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -149.78 156.36 41.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 110.844 -175.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.88 147.75 28.37 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 172.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -67.6 165.35 30.94 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 16.7 Cg_endo -58.27 5.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.222 2.615 . . . . 0.0 114.182 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.4 mt -132.8 7.32 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.906 0.384 . . . . 0.0 110.373 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.45 2.85 69.53 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.72 127.69 3.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.76 -171.92 10.47 Favored 'Cis proline' 0 CA--C 1.534 0.493 0 C-N-CA 124.241 -1.149 . . . . 0.0 113.836 2.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -124.19 139.55 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.85 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -106.26 122.46 46.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.5 m -128.84 142.03 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.818 0.342 . . . . 0.0 111.068 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.571 ' HB2' HD11 ' A' ' 41' ' ' LEU . 54.3 t-20 -97.11 103.36 15.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.427 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 48.5 t -111.04 116.46 31.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.77 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 60.87 25.33 15.26 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.06 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.16 62.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.428 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 mtm -115.64 126.58 54.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.797 0.332 . . . . 0.0 110.215 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 58' ' ' LEU . 6.6 mp -84.06 113.49 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.884 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 30' ' ' LEU . 1.1 mt -112.8 135.38 53.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.558 -175.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.3 m -112.63 126.31 55.23 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.436 ' HE2' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -147.52 167.83 23.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.344 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -77.9 143.7 37.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -173.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 3.9 ttt85 -57.41 -36.75 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.406 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.598 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 2.0 p-10 -58.42 -32.65 68.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.758 ' HG3' HG11 ' A' ' 23' ' ' VAL . 4.3 mm-40 -76.07 -36.29 59.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.274 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 69' ' ' ILE . . . -62.99 -31.35 72.46 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 176.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.598 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 47.9 mt-10 -65.34 -35.58 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.089 0.471 . . . . 0.0 110.118 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.72 -20.28 73.99 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.786 173.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.877 HG12 HG23 ' A' ' 17' ' ' VAL . 70.7 mt -87.37 127.43 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.344 0.592 . . . . 0.0 111.459 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -103.63 124.17 48.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.573 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.483 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 30.2 m -127.79 159.3 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 0.0 111.506 -176.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -116.83 119.47 35.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.5 mt -60.24 136.83 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.594 -174.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 11' ' ' ARG . 86.6 mt -78.92 72.92 5.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.032 177.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -175.01 -174.08 0.74 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.089 -178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 124.38 120.45 2.5 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.069 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.51 129.68 36.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.115 0.483 . . . . 0.0 110.696 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.78 -24.96 67.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.882 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.49 -1.42 90.11 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.791 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -120.76 86.09 40.32 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 116.794 0.297 . . . . 0.0 110.754 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.38 92.14 0.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.014 2.476 . . . . 0.0 112.02 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -117.1 102.89 9.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.442 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.28 162.37 18.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.735 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.59 143.28 28.9 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.852 0.326 . . . . 0.0 110.211 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.83 -168.24 0.53 Allowed 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.962 2.441 . . . . 0.0 112.937 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 172.23 143.73 4.24 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.113 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -123.17 -69.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 61.07 36.52 18.36 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.054 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -79.28 96.96 6.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -84.64 135.24 34.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.635 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -62.21 150.57 38.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.09 0.472 . . . . 0.0 111.142 -176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -116.98 -164.39 0.98 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.755 -175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.0 t80 65.96 86.86 0.13 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.743 0.652 . . . . 0.0 110.082 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -133.53 158.9 23.45 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.686 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' O ' ' HD2' ' A' ' 96' ' ' ARG . 62.9 mttp -76.17 132.7 40.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.093 0.473 . . . . 0.0 111.217 -175.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.539 ' HD2' ' O ' ' A' ' 95' ' ' LYS . 3.3 mpt_? -127.33 118.37 24.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.208 172.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.94 20.1 3.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.016 0.436 . . . . 0.0 110.535 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.69 105.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.529 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -111.35 88.63 2.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.12 0.486 . . . . 0.0 110.672 -176.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -119.45 166.13 13.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.536 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 65.99 71.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.824 0.703 . . . . 0.0 110.952 -175.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -90.01 7.36 38.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.318 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.4 m80 70.39 -173.51 0.18 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.621 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 65.82 36.16 6.29 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 62.5 m80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.692 -176.51 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.711 0.291 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.697 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 2.4 mppt? -94.27 159.75 14.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.886 0.374 . . . . 0.0 111.473 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 6' ' ' LEU . 54.9 tp -65.43 -30.86 71.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.836 174.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.2 p -76.57 -11.14 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.116 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.697 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -90.2 -10.47 44.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.158 0.504 . . . . 0.0 109.838 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 3' ' ' LEU . 74.6 mt -75.77 172.01 13.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.908 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -122.76 169.87 10.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.96 111.82 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.073 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.18 -14.3 33.62 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.373 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HA ' HH21 ' A' ' 11' ' ' ARG . 2.3 m-20 -74.57 132.4 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.142 0.496 . . . . 0.0 111.086 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.79 138.19 40.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.586 -178.333 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.88 162.88 40.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.096 0.474 . . . . 0.0 111.795 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.727 ' HB2' HD21 ' A' ' 74' ' ' LEU . 41.2 tt0 -111.45 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.256 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.707 ' HA ' HG12 ' A' ' 71' ' ' VAL . 66.5 t -76.41 113.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.288 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.478 HG23 ' CE1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -90.07 -26.45 20.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.172 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -165.77 154.03 11.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG13 HG12 ' A' ' 69' ' ' ILE . 50.0 t -126.86 109.97 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.018 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.502 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.42 102.52 14.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 177.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.48 174.54 14.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.386 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.0 tm-20 -57.65 141.99 78.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.962 0.788 . . . . 0.0 108.986 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.594 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 3.2 Cg_exo -44.35 -51.12 7.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.302 2.668 . . . . 0.0 113.169 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' OE1' ' A' ' 20' ' ' GLU . . . -69.9 -44.13 70.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.453 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 79.1 t -63.89 -42.67 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.201 0.524 . . . . 0.0 110.236 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -61.17 -52.13 66.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.889 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -72.1 -25.88 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 40.4 ttt-85 -64.67 -46.52 82.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 92.3 mt -62.6 -41.65 99.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.63 ' HB3' HG12 ' A' ' 33' ' ' VAL . 47.4 mtm -63.0 -37.96 89.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.23 -33.45 76.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.757 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 95.2 mt -71.86 -33.65 68.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.439 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.18 -3.31 1.45 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.812 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' A' ' 28' ' ' MET . 3.2 tt -94.56 83.84 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 0.0 109.967 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG12 ' HB3' ' A' ' 28' ' ' MET . 33.2 m -109.65 178.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.263 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -72.44 115.19 11.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 0.58 37.12 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.886 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.86 146.0 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.3 . . . . 0.0 110.726 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -114.83 127.7 55.87 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -142.54 169.71 17.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.662 0.744 . . . . 0.0 112.799 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 11' ' ' ARG . 35.9 ttpt -130.84 132.42 45.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.236 172.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.1 t -69.61 119.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.5 mt -81.16 -64.43 1.19 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.531 -177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -151.33 152.31 32.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.457 0.646 . . . . 0.0 111.117 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -107.21 131.13 54.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 168.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -57.33 159.08 9.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 123.169 0.293 . . . . 0.0 110.23 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.477 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 25.0 Cg_endo -60.94 6.55 0.12 Allowed 'Trans proline' 0 N--CA 1.479 0.627 0 C-N-CA 123.374 2.716 . . . . 0.0 113.83 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 44' ' ' ALA . 80.0 mt -132.28 13.65 4.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.909 0.385 . . . . 0.0 110.102 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.61 14.29 72.25 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.463 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -174.63 132.83 0.5 Allowed Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.86 -175.43 16.38 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.567 -1.43 . . . . 0.0 113.144 1.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.7 mt -120.69 135.12 61.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -111.12 124.78 52.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.43 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 40' ' ' VAL . 28.7 m -132.2 146.51 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.745 0.307 . . . . 0.0 111.039 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -97.87 104.33 16.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 49.1 t -108.82 110.49 21.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.944 -175.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.89 28.94 16.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.81 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.91 -4.56 65.72 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.926 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -106.41 123.29 47.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.833 0.349 . . . . 0.0 110.065 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.21 107.87 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mt -105.74 150.91 25.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.65 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.7 m -133.87 120.41 20.39 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.626 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.51 178.85 6.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.933 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -89.18 158.92 17.72 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.087 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -52.88 -40.67 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.531 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 3.5 p-10 -64.33 -30.61 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 -177.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 69' ' ' ILE . 65.0 mm-40 -71.28 -39.49 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.413 . . . . 0.0 109.996 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.17 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.929 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 49.7 mt-10 -65.56 -38.12 88.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 174.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.6 -36.28 87.73 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.556 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.699 HG12 HG13 ' A' ' 17' ' ' VAL . 52.8 mt -74.71 120.37 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.164 0.507 . . . . 0.0 111.215 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -100.93 128.9 46.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.455 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 14' ' ' VAL . 33.2 m -136.17 160.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 0.0 111.229 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.478 ' CE1' HG23 ' A' ' 15' ' ' THR . 22.9 p-80 -120.51 130.93 54.47 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 171.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.64 133.2 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 111.696 -174.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 13' ' ' GLU . 93.6 mt -77.51 78.21 4.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -166.96 -23.84 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.406 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.45 119.79 2.74 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.894 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.427 ' HB3' ' ND1' ' A' ' 80' ' ' HIS . 20.9 t70 -118.06 151.85 36.71 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -84.95 -2.12 57.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -173.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.03 82.23 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 119.997 -1.096 . . . . 0.0 112.929 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 77' ' ' ASP . 22.7 p-80 -121.05 85.36 40.82 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 121.421 0.629 . . . . 0.0 110.155 176.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -93.12 107.42 0.18 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 123.177 2.585 . . . . 0.0 112.514 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -82.42 90.78 6.75 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -135.87 75.06 0.41 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.265 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -100.56 144.46 28.52 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.215 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 22.5 Cg_exo -66.76 -164.63 0.09 OUTLIER 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.884 2.39 . . . . 0.0 112.49 175.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -136.35 146.7 18.68 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -84.17 118.37 24.09 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -103.69 148.44 26.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.254 0.55 . . . . 0.0 111.269 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.08 -176.79 4.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.897 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -87.96 169.45 11.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.937 0.399 . . . . 0.0 110.743 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -94.74 31.68 1.77 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.737 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 69.4 -69.47 0.16 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.967 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.7 t80 57.6 76.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.69 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.64 160.26 28.26 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -110.65 -60.24 1.84 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.021 0.41 . . . . 0.0 110.982 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 59.05 79.84 0.21 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.046 -174.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.82 143.05 26.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.985 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.3 mp -128.14 128.84 45.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.777 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' A' ' 99' ' ' GLU . 1.3 pm0 -88.13 175.49 7.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.548 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -145.07 126.82 15.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.11 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -77.92 162.76 26.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.1 t60 67.41 98.72 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.776 0.672 . . . . 0.0 110.4 -174.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -142.72 162.8 34.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.673 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 49.0 m80 66.09 93.16 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.951 0.782 . . . . 0.0 110.971 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.7 t60 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.779 177.646 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.648 ' HE1' HD11 ' A' ' 73' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.742 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 4.4 mptp? -76.41 151.03 36.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.052 0.454 . . . . 0.0 111.597 -173.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 6' ' ' LEU . 16.9 tp -65.67 -30.16 70.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.417 173.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.1 t -69.3 -22.69 63.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.979 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.742 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 53.4 mt-10 -89.77 -2.91 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.383 . . . . 0.0 111.169 -177.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 71' ' ' VAL . 34.0 mt -76.33 165.83 24.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 34.8 mtmt -119.05 161.12 20.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.802 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.34 118.02 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 0.0 110.64 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.11 -12.21 52.19 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.431 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.512 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 1.1 m-20 -79.97 141.6 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HG2' HD12 ' A' ' 74' ' ' LEU . 51.9 ttt180 -124.55 131.09 53.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.32 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -141.87 176.48 8.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.0 tt0 -121.37 133.66 55.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.765 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 HD22 ' A' ' 38' ' ' LEU . 58.0 t -72.27 112.14 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -89.73 -37.64 14.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 m -154.65 116.87 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.17 0.51 . . . . 0.0 110.773 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.889 HG23 HG12 ' A' ' 69' ' ' ILE . 2.4 p -97.22 109.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.28 0.562 . . . . 0.0 110.28 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.63 172.3 17.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.466 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 149.03 98.7 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.434 0.459 . . . . 0.0 109.948 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -46.5 -43.29 22.55 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.825 3.016 . . . . 0.0 113.853 -172.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.43 -49.08 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.146 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.79 -39.49 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 110.597 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' MET . 24.0 ttm180 -57.5 -51.89 67.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.785 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.719 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 99.4 mtt180 -69.77 -35.54 75.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.153 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -41.67 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 89.6 mtp -57.95 -42.44 84.97 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.67 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.09 -31.73 70.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.835 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.84 6.22 25.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.809 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.87 -2.92 55.69 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.067 175.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 28' ' ' MET . 4.9 tt -88.32 85.82 6.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.436 0.636 . . . . 0.0 109.449 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 26.8 m -121.1 -177.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.119 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -72.08 120.36 17.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.98 0.39 56.17 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.887 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -76.47 126.34 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.774 0.321 . . . . 0.0 111.206 178.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -93.12 128.32 39.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.856 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.473 HD22 HG23 ' A' ' 14' ' ' VAL . 2.3 pt? -139.3 147.63 41.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.437 . . . . 0.0 111.044 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -115.6 132.01 56.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.406 174.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.733 ' HA ' HG12 ' A' ' 52' ' ' VAL . 62.1 t -70.73 119.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 53' ' ' ASN . 97.6 mt -89.52 -64.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.291 -175.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -151.71 160.46 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.145 -173.106 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -117.16 154.49 30.99 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.57 163.17 69.13 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 172.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.32 5.66 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.99 2.46 . . . . 0.0 113.517 -176.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.0 mt -132.8 14.07 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.781 0.324 . . . . 0.0 110.591 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.11 2.09 81.86 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.626 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -161.62 135.8 5.09 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.51 179.21 29.64 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.548 -1.438 . . . . 0.0 113.312 1.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 54.9 mt -115.3 139.03 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.48 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.4 126.77 55.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.781 0.324 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.733 HG12 ' HA ' ' A' ' 40' ' ' VAL . 29.7 m -132.44 156.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -177.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' HB2' HD11 ' A' ' 41' ' ' LEU . 30.9 t30 -106.22 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 175.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.511 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 51.0 t -113.67 123.89 50.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.41 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 62.65 20.34 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.112 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.75 16.01 60.57 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.716 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 59' ' ' LEU . 33.0 ttm -117.1 129.46 56.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.42 102.43 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.082 0.468 . . . . 0.0 109.962 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -119.82 149.5 41.96 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.038 -174.498 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.4 m -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.25 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.5 ptm -138.78 171.47 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -177.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 9.3 mmt180 -95.49 149.84 20.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -172.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 23.0 ttt180 -61.83 -41.9 98.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.436 177.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -60.44 -31.46 70.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.389 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' O ' HG13 ' A' ' 69' ' ' ILE . 56.0 mm-40 -75.34 -38.39 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 109.693 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.86 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.526 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 23.3 mm-40 -62.5 -47.32 84.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 109.635 173.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.49 -31.26 78.24 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.541 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.889 HG12 HG23 ' A' ' 17' ' ' VAL . 63.4 mt -75.91 119.68 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.297 0.57 . . . . 0.0 111.224 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -103.97 125.58 50.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.713 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 6' ' ' LEU . 29.9 m -116.81 157.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.266 -175.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -118.49 123.94 46.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.868 175.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.648 HD11 ' HE1' ' A' ' 1' ' ' MET . 27.0 mm -64.12 130.9 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.118 0.485 . . . . 0.0 112.12 -173.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 13' ' ' GLU . 94.9 mt -78.82 76.03 5.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.08 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.76 -178.08 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.22 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.2 -34.55 5.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.409 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 71.33 -18.03 0.3 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -67.24 -31.99 72.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.893 0.378 . . . . 0.0 110.513 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.5 -109.95 3.38 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.667 176.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.3 m80 65.39 85.83 0.15 Allowed Pre-proline 0 C--O 1.233 0.225 0 O-C-N 124.098 0.528 . . . . 0.0 110.921 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.63 129.24 28.56 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.733 2.288 . . . . 0.0 111.835 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -76.52 85.85 3.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.6 -170.65 13.38 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -176.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.573 ' CD2' ' HD2' ' A' ' 85' ' ' PRO . 74.1 t-105 -105.36 141.46 22.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.855 0.328 . . . . 0.0 110.189 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 84' ' ' TRP . 74.2 Cg_endo -77.99 143.36 20.45 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.809 2.339 . . . . 0.0 112.3 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.63 50.31 0.27 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.441 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -132.47 103.74 6.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.053 0.454 . . . . 0.0 110.069 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -154.07 128.74 9.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.384 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -151.96 94.26 1.94 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.612 0.72 . . . . 0.0 111.568 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' C ' ' HD3' ' A' ' 90' ' ' ARG . 1.7 tmt_? -122.69 91.23 3.45 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -121.37 93.59 4.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.151 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -155.68 82.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -104.11 135.02 46.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.258 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -117.3 -76.56 0.58 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.458 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.52 138.69 39.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.382 0.61 . . . . 0.0 111.841 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' A' ' 97' ' ' ALA . 30.5 ptt180 -150.63 -13.14 0.24 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.394 175.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' A' ' 96' ' ' ARG . . . -87.74 97.74 11.06 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.4 mt -99.92 17.47 20.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.842 -172.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 67.53 -177.05 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.727 0.642 . . . . 0.0 110.843 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -122.37 71.73 1.03 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -99.42 103.34 15.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.75 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -154.03 101.6 2.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.921 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -143.36 130.4 20.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.073 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -164.01 141.92 7.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.056 0.455 . . . . 0.0 110.435 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.2 p80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.486 176.565 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.909 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.3 mptt -76.15 152.91 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.976 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 6' ' ' LEU . 37.6 tp -65.39 -29.62 70.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.398 173.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 15.1 p -78.31 -8.1 58.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.629 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.909 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 43.8 mt-10 -92.31 -8.75 44.24 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 3' ' ' LEU . 75.8 mt -69.06 163.75 24.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.26 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HG3' ' OD2' ' A' ' 10' ' ' ASP . 2.5 pptp? -130.55 32.96 4.34 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -170.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.482 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 68.67 135.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.467 0.651 . . . . 0.0 112.129 175.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 7.22 84.38 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.455 ' OD2' ' HG3' ' A' ' 7' ' ' LYS . 66.1 m-20 -102.23 132.58 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.073 -0.563 . . . . 0.0 110.355 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 11' ' ' ARG . 65.3 mtt-85 -107.6 121.42 44.62 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.06 166.24 23.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.885 -174.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.12 132.38 56.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.644 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.606 ' HA ' HG12 ' A' ' 71' ' ' VAL . 91.6 t -74.68 116.46 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -35.22 14.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 p -160.94 142.15 11.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.769 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.643 HG13 HG12 ' A' ' 69' ' ' ILE . 45.6 t -114.16 109.48 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.415 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.49 103.6 15.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.015 0.436 . . . . 0.0 110.35 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.86 179.7 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.256 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.57 144.38 89.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.63 -45.13 43.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.867 2.378 . . . . 0.0 112.477 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.77 92.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.52 -43.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 24' ' ' ARG . 37.1 ttm180 -56.5 -50.01 73.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.423 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -66.61 -35.83 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.476 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 16.7 ttt180 -59.74 -42.64 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.484 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 94.0 mt -66.65 -38.63 87.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.297 177.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.453 ' HG2' HG12 ' A' ' 33' ' ' VAL . 89.2 mtp -63.99 -40.01 95.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -33.29 75.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.317 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 95.3 mt -71.94 -42.52 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.869 0.366 . . . . 0.0 110.495 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 5.33 0.62 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.3 tt -97.75 96.0 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 28' ' ' MET . 35.7 m -128.97 172.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.236 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -67.98 118.1 10.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.16 -3.75 48.02 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.753 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.5 135.32 39.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.275 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -105.72 126.25 51.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.463 HD23 ' H ' ' A' ' 38' ' ' LEU . 2.3 pt? -133.65 157.99 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.146 0.498 . . . . 0.0 111.889 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -116.75 119.74 36.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.098 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 52' ' ' VAL . 77.9 t -70.62 117.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -90.84 -61.53 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -148.34 159.68 43.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.85 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -118.86 140.14 50.46 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 171.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -65.58 158.26 74.74 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.0 Cg_endo -59.95 6.69 0.1 OUTLIER 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 123.635 2.89 . . . . 0.0 113.946 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' A' ' 44' ' ' ALA . 91.1 mt -131.75 13.16 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.87 8.99 78.94 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.213 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.91 133.3 1.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.58 -175.48 16.56 Favored 'Cis proline' 0 C--O 1.237 0.441 0 C-N-CA 123.436 -1.485 . . . . 0.0 113.13 0.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.84 134.43 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.31 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -98.48 114.47 26.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.858 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.7 m -130.13 136.73 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 0.0 111.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -88.85 101.41 14.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.3 t -108.98 112.32 24.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.645 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 62.59 29.66 16.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.885 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.35 -19.63 53.96 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 113.252 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.36 132.73 42.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.001 0.4 . . . . 0.0 111.201 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.25 105.46 6.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mt -106.46 131.62 53.43 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -108.99 119.81 40.68 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.44 169.44 17.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.116 179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 62' ' ' ARG . 4.9 mmm180 -88.66 156.81 18.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.62 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 48.2 ttt-85 -54.59 -37.22 65.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.181 177.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.538 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 1.8 m-20 -54.49 -43.68 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.422 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.5 mt-10 -73.25 -39.24 65.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.268 -176.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 4' ' ' SER . . . -66.2 -26.17 67.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.357 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' OE2' ' HA ' ' A' ' 64' ' ' ASN . 41.6 mt-10 -62.77 -45.66 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.461 . . . . 0.0 110.491 173.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.52 -35.57 90.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.01 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.643 HG12 HG13 ' A' ' 17' ' ' VAL . 38.5 mt -74.59 123.56 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 111.21 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -103.77 128.28 51.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.448 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.606 HG12 ' HA ' ' A' ' 14' ' ' VAL . 28.9 m -133.04 166.12 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -129.03 134.17 48.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.23 129.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.62 87.16 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.016 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.31 46.07 0.81 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.017 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.02 -51.54 56.22 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -143.2 142.35 31.39 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 64.4 91.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.954 0.784 . . . . 0.0 110.304 -175.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.66 71.65 0.25 Allowed Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.839 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -70.43 153.01 95.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.75 -21.87 57.84 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.29 1.993 . . . . 0.0 111.682 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.3 m170 56.81 32.08 20.7 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.033 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.17 -133.31 2.91 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 65.3 t-105 -151.45 142.01 14.92 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 2.8 Cg_exo -77.61 118.65 4.61 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.192 2.595 . . . . 0.0 112.545 178.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.44 -177.64 37.16 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.61 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -113.4 -57.72 2.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.576 0.188 . . . . 0.0 110.845 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 70.1 114.83 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.773 0.671 . . . . 0.0 112.054 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -95.02 173.92 7.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.93 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 56.4 37.59 28.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.386 0.612 . . . . 0.0 109.795 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -79.39 86.84 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.956 -173.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -145.26 116.92 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.975 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -82.7 104.38 12.91 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.76 164.69 52.03 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.633 -0.712 . . . . 0.0 114.109 -171.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -127.44 138.11 52.88 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -63.1 145.67 54.95 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.19 109.93 1.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.012 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -109.1 111.57 23.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.862 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -104.93 120.17 40.79 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -58.51 145.91 37.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.103 -168.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -72.88 167.96 19.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.483 -175.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -88.53 149.92 23.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.771 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -133.79 166.56 22.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.995 177.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -78.0 126.01 30.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.01 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.7 m80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.336 179.56 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.866 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 1.2 mptm? -86.25 153.21 22.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.859 0.361 . . . . 0.0 110.372 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.615 HD23 HD12 ' A' ' 69' ' ' ILE . 17.4 tp -65.53 -31.85 73.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.98 173.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 p -80.67 -0.96 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.909 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.866 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -89.46 -24.52 21.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.132 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.474 HD21 HG12 ' A' ' 73' ' ' ILE . 93.2 mt -62.4 148.7 44.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.601 178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.613 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 18.6 ptpt -121.9 44.03 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -170.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 42' ' ' ARG . . . 68.14 124.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.709 0.766 . . . . 0.0 112.735 174.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.43 -14.37 65.13 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.434 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 6' ' ' LEU . 35.6 m-20 -79.71 148.14 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -115.31 128.42 56.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.17 164.71 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.007 0.432 . . . . 0.0 111.077 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -121.0 127.99 52.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.988 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' HA ' HG12 ' A' ' 71' ' ' VAL . 56.4 t -71.14 125.79 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.853 -177.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -100.75 -34.02 10.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.094 0.473 . . . . 0.0 110.565 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -158.91 147.97 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.799 HG23 HG12 ' A' ' 69' ' ' ILE . 3.3 p -126.96 111.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.373 0.606 . . . . 0.0 110.562 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.24 112.91 26.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.038 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.26 171.66 16.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.725 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -62.3 148.37 89.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.5 -52.08 6.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 123.609 2.873 . . . . 0.0 113.425 -176.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.84 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.208 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.77 -45.26 77.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.288 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -61.74 -43.22 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.081 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -58.58 -44.51 89.83 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.659 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.488 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.3 mtt180 -58.36 -47.96 82.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.704 0.288 . . . . 0.0 110.826 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 69' ' ' ILE . 85.1 mt -61.04 -46.82 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.157 0.503 . . . . 0.0 110.708 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 89.8 mtp -67.87 -35.8 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.176 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.34 -32.09 69.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.568 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.3 mt -70.42 -40.02 74.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 176.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.54 19.32 0.18 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.995 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -105.25 98.91 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.015 0.436 . . . . 0.0 110.065 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.33 -179.63 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.004 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -67.97 127.52 33.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.85 -4.84 68.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.862 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.52 127.68 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -94.82 129.29 41.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -136.07 145.62 46.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.103 0.478 . . . . 0.0 111.31 -177.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -110.38 124.97 52.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.729 175.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.485 ' HA ' HG12 ' A' ' 52' ' ' VAL . 59.1 t -71.93 126.86 33.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.74 -63.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HG2' ' H ' ' A' ' 43' ' ' PHE . 24.6 ttp180 -170.46 167.65 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.971 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 82.6 m-85 -94.25 164.15 13.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.991 172.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.02 166.41 43.62 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 165.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.33 1.72 0.24 Allowed 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.116 2.544 . . . . 0.0 114.415 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.2 mt -132.6 7.5 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.92 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.71 -3.12 84.35 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.915 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.71 132.95 8.76 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.14 -171.2 9.54 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.782 -1.341 . . . . 0.0 112.782 -1.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.3 mt -124.03 136.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.867 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -104.04 129.08 51.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.624 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 40' ' ' VAL . 28.4 m -137.76 153.82 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.446 . . . . 0.0 111.427 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -109.38 100.97 9.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.66 115.03 29.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.209 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.664 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 7.7 t-20 59.35 27.46 16.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.472 174.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.45 -5.88 62.87 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.442 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.664 ' HE1' ' HB3' ' A' ' 55' ' ' ASN . 4.2 mpp? -101.22 126.89 47.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.114 0.457 . . . . 0.0 110.073 175.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.5 110.43 22.5 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -132.46 135.69 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -175.161 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.6 m -91.18 123.1 34.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.464 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.3 ptm -126.42 164.03 22.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.104 0.478 . . . . 0.0 111.148 -174.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 8.5 mmm180 -86.38 150.04 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.485 -173.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -58.97 -39.23 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.336 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -61.15 -30.49 70.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.841 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' O ' HG13 ' A' ' 69' ' ' ILE . 45.5 mt-10 -74.86 -43.78 52.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.04 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.09 70.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.982 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -60.13 -44.3 95.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.193 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.83 -20.25 72.22 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.078 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.799 HG12 HG23 ' A' ' 17' ' ' VAL . 62.6 mt -87.59 125.07 41.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.207 0.527 . . . . 0.0 111.104 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -102.49 123.12 45.68 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.88 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 14' ' ' VAL . 31.5 m -127.7 167.96 21.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.556 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 171.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.474 HG12 HD21 ' A' ' 6' ' ' LEU . 56.8 mt -66.73 130.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 0.0 111.333 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.6 77.36 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.432 0.634 . . . . 0.0 109.794 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.01 175.22 13.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.712 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.07 -2.84 39.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.185 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -80.1 98.25 7.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.715 -0.242 . . . . 0.0 110.442 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 54.41 70.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.21 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.6 -31.24 24.92 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.4 m80 68.85 147.52 0.12 Allowed Pre-proline 0 N--CA 1.467 0.392 0 O-C-N 124.565 0.803 . . . . 0.0 112.489 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.93 136.17 34.46 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.596 2.197 . . . . 0.0 110.477 170.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -97.67 102.58 14.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.147 0.499 . . . . 0.0 111.657 -173.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.36 105.12 3.25 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 6.0 m95 -83.62 144.82 46.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.041 0.448 . . . . 0.0 111.872 -175.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 16.4 Cg_exo -68.41 144.22 60.76 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.281 2.654 . . . . 0.0 111.311 174.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -110.3 161.88 12.78 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.149 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 73.55 98.58 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.684 0.794 . . . . 0.0 111.994 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -134.32 132.56 39.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.957 173.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -153.94 122.47 6.23 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -89.37 -38.88 13.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.172 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -106.26 103.56 13.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.394 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 92' ' ' ARG . 42.4 mtt180 -93.51 72.89 4.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.231 174.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 55.73 44.8 25.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.31 65.69 3.32 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.61 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -140.31 108.12 5.67 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.373 0.269 . . . . 0.0 110.72 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 66.4 109.41 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.861 0.839 . . . . 0.0 112.78 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.77 155.1 19.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.939 174.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.02 133.27 39.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.831 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -93.71 149.62 21.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.153 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -93.19 174.32 7.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.696 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -114.78 137.17 52.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -97.18 -78.21 0.48 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.636 0.255 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -121.56 174.6 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -177.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -133.27 156.14 48.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.949 -174.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.0 m80 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.931 177.084 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 ptm . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.569 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 13.7 mptt -85.9 151.05 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.702 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 6' ' ' LEU . 29.7 tp -65.06 -31.49 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -76.4 -15.34 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.237 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.569 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 17.8 mm-40 -95.21 1.83 54.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.121 -176.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD11 HG21 ' A' ' 71' ' ' VAL . 25.0 mt -77.22 -177.11 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.6 . . . . 0.0 111.668 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 73.6 mmtt -120.11 149.76 41.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.637 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . -66.71 105.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.39 6.86 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.84 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 179.836 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 11' ' ' ARG . 16.7 ttm180 -113.22 128.62 56.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.54 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.28 174.03 11.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -124.78 133.31 53.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.33 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.553 HG23 HD22 ' A' ' 38' ' ' LEU . 89.6 t -69.84 122.7 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 p -96.6 -41.44 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 148.68 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.285 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.679 HG13 HG12 ' A' ' 69' ' ' ILE . 52.6 t -124.15 117.95 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.45 101.14 10.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.478 176.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.76 -176.94 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.473 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -65.3 144.1 98.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.68 -42.19 70.72 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.811 2.341 . . . . 0.0 112.344 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.55 83.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.151 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.85 -35.67 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.523 -175.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 28' ' ' MET . 43.8 ttp180 -63.22 -49.16 75.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.932 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 28' ' ' MET . 32.1 mtm105 -64.38 -31.9 73.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.151 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -43.24 89.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.83 -39.34 56.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.445 ' HG2' HG12 ' A' ' 33' ' ' VAL . 88.1 mtp -61.96 -37.78 86.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -34.86 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.751 175.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.733 HD13 HD22 ' A' ' 59' ' ' LEU . 97.1 mt -71.98 -41.16 68.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.032 177.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.33 -0.66 1.12 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.655 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -82.26 92.78 6.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.14 0.495 . . . . 0.0 110.128 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 28.8 m -133.47 -175.98 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.092 178.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -68.9 116.59 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 175.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.05 -1.05 38.24 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.843 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.26 123.69 25.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.52 0.2 . . . . 0.0 110.606 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HG2' HD11 ' A' ' 74' ' ' LEU . 57.2 mttp -91.02 126.53 36.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.807 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD22 HG23 ' A' ' 14' ' ' VAL . 2.4 pt? -140.99 149.38 41.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.999 0.428 . . . . 0.0 110.735 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 36.8 ttpt -118.23 135.56 54.19 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 52' ' ' VAL . 70.6 t -70.2 118.35 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 53' ' ' ASN . 87.5 mt -90.58 -56.68 3.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.18 143.12 27.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.983 -173.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.75 133.61 53.19 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 165.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -62.99 161.74 27.98 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 22.2 Cg_endo -61.24 5.88 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.715 0 C-N-CA 123.153 2.569 . . . . 0.0 114.168 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.7 mt -132.5 10.06 4.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.181 0.515 . . . . 0.0 109.812 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.98 20.69 79.04 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -170.1 127.67 0.78 Allowed Pre-proline 0 C--N 1.326 -0.415 0 C-N-CA 122.904 0.481 . . . . 0.0 109.71 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.66 -175.93 17.67 Favored 'Cis proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.984 1.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -122.26 137.11 56.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.429 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.2 121.05 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.123 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 40' ' ' VAL . 31.4 m -133.33 150.05 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.015 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 49.7 t-20 -101.82 105.36 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -107.92 108.53 19.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.068 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.47 28.48 13.78 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.078 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.56 -4.2 63.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.546 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -104.53 117.72 34.83 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -82.91 105.33 13.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.733 HD22 HD13 ' A' ' 30' ' ' LEU . 9.8 mt -101.3 144.41 30.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.016 -172.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m -128.61 120.55 26.84 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.019 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 -179.5 6.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -91.45 161.45 14.98 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 39.7 ttt85 -58.92 -36.98 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.28 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.37 -32.49 70.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.08 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 mp0 -69.67 -46.49 65.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.043 0.449 . . . . 0.0 109.986 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.56 78.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.282 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 44.0 mt-10 -63.38 -36.33 83.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.161 0.505 . . . . 0.0 110.366 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.05 -25.18 73.34 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.669 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.679 HG12 HG13 ' A' ' 17' ' ' VAL . 61.4 mt -86.3 132.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.593 . . . . 0.0 111.722 -173.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 m -105.28 130.65 53.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.537 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.624 HG21 HD11 ' A' ' 6' ' ' LEU . 33.3 m -129.35 158.69 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -121.89 121.67 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.983 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.99 134.16 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.324 0.583 . . . . 0.0 111.817 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD11 ' HG2' ' A' ' 37' ' ' LYS . 48.9 mt -92.6 51.06 1.67 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.81 0.814 . . . . 0.0 110.549 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.84 28.06 0.48 Allowed 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.25 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.63 -33.79 0.33 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.705 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t70 65.86 17.17 10.76 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.542 0.687 . . . . 0.0 110.546 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -82.69 163.32 21.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.97 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 107.12 -115.86 4.78 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -176.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -170.88 143.77 1.73 Allowed Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.4 126.49 22.42 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.579 2.186 . . . . 0.0 111.833 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -64.01 163.92 11.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.037 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.63 -166.01 11.22 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.168 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER 71.48 144.2 0.1 Allowed Pre-proline 0 C--N 1.33 -0.258 0 C-N-CA 123.52 0.728 . . . . 0.0 111.782 -179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 32.8 Cg_exo -59.36 -39.84 73.36 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.913 2.409 . . . . 0.0 112.027 175.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.63 151.71 28.58 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.238 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -150.96 114.75 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.908 0.385 . . . . 0.0 110.233 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -122.33 139.14 54.17 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.518 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.5 mtt85 -58.5 124.45 19.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.334 0.588 . . . . 0.0 111.915 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -133.21 -167.97 2.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.856 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 68.08 -169.12 0.19 Allowed 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.681 0.613 . . . . 0.0 110.374 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -148.81 162.98 38.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -122.3 124.82 44.64 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 145.15 144.81 4.19 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.611 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -172.77 103.63 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -83.62 116.19 22.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.97 126.95 32.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.944 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.61 -7.51 52.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.918 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 64.49 -168.48 0.21 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.495 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -111.65 152.76 27.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.343 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -94.57 86.22 4.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.239 0.542 . . . . 0.0 109.583 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -73.05 -24.25 60.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.917 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.0 m80 65.99 174.33 0.23 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.395 0.617 . . . . 0.0 111.353 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -114.78 -39.97 3.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.808 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.567 179.142 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.61 ' HB2' ' HB2' ' A' ' 81' ' ' PRO . 50.1 ttp . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -86.77 153.8 21.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 69' ' ' ILE . 18.4 tp -65.74 -33.52 76.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.68 172.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -75.33 -8.43 56.65 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.601 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -97.07 1.66 50.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.546 HD11 HG21 ' A' ' 71' ' ' VAL . 50.3 mt -79.6 178.34 8.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.223 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.8 156.07 48.67 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 116.99 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.241 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.56 -32.08 4.4 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.25 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.71 151.68 37.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.322 0.582 . . . . 0.0 112.496 -172.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 11' ' ' ARG . 19.4 mtp180 -114.54 141.61 47.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.866 176.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.78 165.84 27.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.23 0.538 . . . . 0.0 111.556 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.734 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.4 tt0 -113.67 131.9 55.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.158 176.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.47 119.05 21.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.867 0.365 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -95.78 -34.0 12.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 p -162.44 147.38 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.778 HG13 HG12 ' A' ' 69' ' ' ILE . 60.1 t -120.58 119.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.413 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.593 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.06 104.72 14.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.965 0.412 . . . . 0.0 110.066 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.04 172.28 17.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.559 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 11.6 tm-20 -58.28 141.87 82.0 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 6.6 Cg_endo -51.27 -43.02 51.54 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.087 2.525 . . . . 0.0 113.443 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.3 -44.59 68.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.752 0.31 . . . . 0.0 110.655 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 74.0 t -66.94 -40.34 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.18 0.514 . . . . 0.0 109.997 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.89 -39.95 91.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.945 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.25 -41.22 99.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.401 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 76.0 mtp180 -70.9 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.7 mt -60.72 -46.04 91.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 109.895 176.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 42.7 mtm -70.49 -27.45 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.751 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.21 -47.9 69.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.981 175.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.92 14.99 0.21 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.129 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.81 89.26 4.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.3 m -125.68 -176.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.218 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -67.81 114.7 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.96 -1.8 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.387 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.96 136.35 41.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.866 0.365 . . . . 0.0 110.425 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.61 128.65 54.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.9 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.84 160.47 38.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.143 0.496 . . . . 0.0 111.684 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HG3' ' HG2' ' A' ' 11' ' ' ARG . 57.5 tttp -122.11 124.2 43.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.483 175.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.7 ' HA ' HG12 ' A' ' 52' ' ' VAL . 57.7 t -71.53 117.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.715 HD11 HD22 ' A' ' 58' ' ' LEU . 68.1 mt -83.33 -62.65 1.53 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.929 0.395 . . . . 0.0 110.373 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -161.82 152.43 17.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.009 -175.467 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -105.08 155.43 19.0 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -73.32 165.38 53.4 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.45 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 72.8 Cg_exo -49.31 -33.34 28.45 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.72 2.28 . . . . 0.0 113.02 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.18 1.0 54.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.279 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.4 0.06 86.78 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.838 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -151.43 132.18 7.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -78.6 -170.81 9.1 Favored 'Cis proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.565 -1.431 . . . . 0.0 113.493 1.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.4 mt -126.55 139.65 51.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.331 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -108.44 121.36 44.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.681 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.7 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.4 m -135.79 146.6 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.128 0.489 . . . . 0.0 111.246 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.76 100.22 12.75 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 42.9 t -110.85 118.67 36.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.952 0.406 . . . . 0.0 111.063 -173.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.56 27.88 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.39 -3.5 63.75 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.5 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 71.7 mtm -121.01 138.64 54.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.115 0.458 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.715 HD22 HD11 ' A' ' 41' ' ' LEU . 68.6 mt -75.91 107.39 8.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.854 178.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 54' ' ' CYS . 8.0 mt -111.12 137.52 48.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.904 0.383 . . . . 0.0 110.393 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.76 130.76 45.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.885 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 21.1 ptm -143.22 166.86 23.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.102 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 62' ' ' ARG . 7.1 mmm180 -96.21 163.14 13.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 29.4 ttt180 -61.72 -34.28 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.025 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.84 -49.9 61.95 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.8 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.628 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.2 mp0 -64.25 -43.39 95.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.83 -28.46 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.931 -175.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 36.7 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 109.909 174.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.593 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.49 -36.9 84.77 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.726 -0.67 . . . . 0.0 113.127 175.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.778 HG12 HG13 ' A' ' 17' ' ' VAL . 61.5 mt -74.41 132.5 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.395 0.617 . . . . 0.0 111.443 -174.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -109.73 128.29 55.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.821 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.546 HG21 HD11 ' A' ' 6' ' ' LEU . 29.3 m -132.63 160.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.196 0.522 . . . . 0.0 111.393 -175.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -123.46 129.62 51.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.21 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.51 129.17 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.985 0.422 . . . . 0.0 111.211 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 13' ' ' GLU . 95.0 mt -83.2 80.58 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.138 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -172.82 174.44 3.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.358 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.48 43.81 3.27 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 175.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -127.4 103.33 7.31 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -147.47 179.62 7.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.92 -86.65 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -161.03 79.46 2.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-O 121.426 0.631 . . . . 0.0 111.018 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.61 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 7.3 Cg_exo -73.55 128.93 13.14 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.716 2.277 . . . . 0.0 111.261 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.527 ' ND1' ' HA ' ' A' ' 1' ' ' MET . 27.2 m80 67.98 121.95 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.013 0.82 . . . . 0.0 110.932 -173.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.87 -122.9 4.11 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.433 -173.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -110.34 142.31 25.75 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.733 -0.234 . . . . 0.0 110.409 -172.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -57.73 -52.82 5.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.99 2.46 . . . . 0.0 112.367 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.93 13.89 26.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.659 -0.781 . . . . 0.0 113.45 175.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 90.6 t80 65.99 118.9 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.391 0.615 . . . . 0.0 111.562 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -78.6 119.93 22.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -75.24 141.88 43.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.318 -175.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 90' ' ' ARG . 0.7 OUTLIER -148.03 146.03 28.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.167 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -167.82 162.73 13.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.861 0.362 . . . . 0.0 111.035 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 92' ' ' ARG . 38.7 ttt-85 -157.33 -62.27 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.422 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.5 t80 58.76 86.6 0.08 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.895 0.747 . . . . 0.0 110.824 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.86 -53.33 6.41 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.667 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.1 tttp 59.13 91.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.403 0.62 . . . . 0.0 110.842 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -98.43 130.88 45.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.777 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.49 104.43 15.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.141 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 tt -105.83 116.0 31.19 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.77 111.43 20.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -139.38 110.92 7.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.569 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -80.73 152.86 28.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.44 ' C ' ' H ' ' A' ' 104' ' ' HIS . 12.0 t-80 -55.23 -52.95 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.377 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 64.3 t60 71.19 -24.71 0.17 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.493 0.717 . . . . 0.0 112.19 177.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 103' ' ' HIS . 31.1 m80 71.64 -164.79 0.13 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.06 0.544 . . . . 0.0 110.265 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.0 m170 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.962 -176.06 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 12.8 tpt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.9 mptt -84.78 145.63 27.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.689 HD12 HD12 ' A' ' 6' ' ' LEU . 35.0 tp -65.47 -32.42 74.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.336 0.589 . . . . 0.0 109.765 175.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -74.55 -14.77 60.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.78 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' CG ' ' HB2' ' A' ' 2' ' ' LYS . 24.2 mm-40 -88.29 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD12 HD12 ' A' ' 3' ' ' LEU . 55.4 mt -76.56 174.22 10.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 177.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.91 159.79 39.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.757 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.32 -27.03 5.91 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.591 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.72 149.97 41.5 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.261 0.553 . . . . 0.0 111.523 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -122.48 136.9 55.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.37 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.27 163.03 33.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.583 0.23 . . . . 0.0 111.058 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -110.32 126.6 54.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.659 ' HA ' HG12 ' A' ' 71' ' ' VAL . 60.8 t -71.0 120.32 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.696 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.5 p -99.76 -27.54 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -162.95 152.2 15.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.321 . . . . 0.0 110.731 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.734 HG13 HG12 ' A' ' 69' ' ' ILE . 52.8 t -126.77 132.64 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -132.02 106.85 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.415 0.626 . . . . 0.0 110.786 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -161.16 175.03 12.8 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 143.96 72.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.51 -42.08 68.48 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.124 2.55 . . . . 0.0 112.84 -173.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.46 86.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.082 0.468 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.9 -46.03 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.125 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -63.22 -34.39 77.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.508 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.0 -42.11 98.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.21 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 67.5 mtt180 -65.54 -38.48 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.886 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.24 -48.23 74.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.7 mtp -64.07 -37.3 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.74 -45.75 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.529 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 97.6 mt -64.6 -39.94 94.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.531 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.54 0.82 0.94 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.54 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.16 96.51 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.251 0.548 . . . . 0.0 110.016 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.91 176.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.375 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -62.38 123.53 18.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.746 0.307 . . . . 0.0 110.239 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.29 -13.01 48.25 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.963 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.76 126.12 29.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -105.37 128.86 53.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.341 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 3' ' ' LEU . 2.3 pt? -135.48 153.11 51.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.006 0.431 . . . . 0.0 111.673 -172.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -106.43 125.23 50.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.748 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HA ' HG12 ' A' ' 52' ' ' VAL . 47.6 t -72.3 121.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.02 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.81 157.36 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.166 0.507 . . . . 0.0 111.191 -172.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.53 141.86 51.59 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.088 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.633 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -66.97 163.45 44.16 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 30.2 Cg_endo -62.85 1.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.756 2.304 . . . . 0.0 113.837 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -133.28 17.21 4.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.684 0.278 . . . . 0.0 110.974 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.22 19.31 79.6 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.653 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -168.77 124.56 0.78 Allowed Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.74 176.44 39.91 Favored 'Cis proline' 0 C--O 1.236 0.413 0 C-N-CA 123.297 -1.543 . . . . 0.0 113.465 2.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.45 135.92 51.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.65 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -110.19 119.42 39.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.149 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 40' ' ' VAL . 29.6 m -131.86 149.02 32.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.079 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -96.95 103.2 15.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.7 t -105.97 101.92 11.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.734 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 61.22 30.09 19.06 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.21 -3.18 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.599 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -108.42 117.27 33.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.73 111.54 12.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.803 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.428 HD22 HD13 ' A' ' 30' ' ' LEU . 8.2 mt -108.5 129.03 55.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.295 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.2 m -114.59 120.66 40.94 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -148.55 178.58 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.729 0.299 . . . . 0.0 111.282 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -92.69 161.72 14.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.505 -171.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.36 -38.57 87.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.704 -174.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -58.52 -36.29 73.6 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.93 0.395 . . . . 0.0 110.737 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.6 mt-10 -67.9 -43.92 78.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.049 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.44 -26.49 60.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.557 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.77 -45.03 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.013 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.82 -21.87 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.121 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HG13 ' A' ' 17' ' ' VAL . 72.5 mt -85.42 123.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.474 . . . . 0.0 111.31 -177.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -96.43 126.02 41.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.974 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' A' ' 14' ' ' VAL . 35.2 m -130.8 169.83 20.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -128.62 128.18 43.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.42 HD11 ' HE2' ' A' ' 1' ' ' MET . 42.6 mt -70.13 133.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.104 0.478 . . . . 0.0 111.217 -176.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.5 mt -80.72 76.41 7.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.556 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.06 -178.87 4.45 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.943 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.55 12.81 25.77 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -175.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.93 82.99 0.11 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 114.899 -0.65 . . . . 0.0 110.959 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.89 154.5 17.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.827 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.69 153.61 49.13 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.396 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.0 m80 61.56 78.65 0.3 Allowed Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.93 -40.17 22.03 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.605 2.203 . . . . 0.0 111.984 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -172.89 171.62 4.25 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.85 32.27 2.03 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 70.0 t-105 -97.43 142.36 24.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.092 -0.554 . . . . 0.0 110.375 -174.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 6.1 Cg_exo -79.22 94.66 1.06 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.608 2.206 . . . . 0.0 111.061 173.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.33 80.06 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.515 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -78.24 156.49 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 88' ' ' ARG . 36.8 ttt180 -109.74 99.15 8.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 0.0 110.698 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -136.79 137.67 40.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.991 176.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -171.32 147.18 2.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -110.89 116.6 31.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.925 0.393 . . . . 0.0 110.175 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -79.54 132.45 36.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.238 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -80.22 156.95 26.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.535 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.56 176.68 38.87 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.042 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -66.85 147.19 53.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.886 0.374 . . . . 0.0 110.964 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -83.0 149.9 26.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.433 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.22 103.83 7.38 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.213 176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.79 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.2 pt? -93.16 139.92 30.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.343 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 62.46 94.7 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.222 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -86.28 147.61 26.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.028 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -84.59 122.7 29.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.104 -175.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -93.41 -25.02 17.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.406 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.5 m80 61.41 -168.19 0.18 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.73 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -130.79 -168.24 1.96 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.449 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.2 177.864 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.442 ' HE1' HD11 ' A' ' 73' ' ' ILE . 28.1 ttt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 1.034 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 1.4 mptm? -77.59 152.73 33.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.178 0.513 . . . . 0.0 111.558 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 6' ' ' LEU . 28.3 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.161 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -74.81 -13.72 60.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.107 -0.952 . . . . 0.0 111.199 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 1.034 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 50.4 mt-10 -89.48 3.71 51.5 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.964 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 3' ' ' LEU . 63.0 mt -79.71 177.91 8.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.269 0.557 . . . . 0.0 111.656 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 29.5 mttp -115.29 162.68 16.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.965 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.8 104.46 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.88 1.78 28.66 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.099 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.466 ' HB2' ' H ' ' A' ' 7' ' ' LYS . 1.2 t0 -74.94 163.68 27.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 110.69 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.75 120.36 26.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.537 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -140.09 160.26 40.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.117 0.484 . . . . 0.0 111.615 -177.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.5 tt0 -119.17 128.23 54.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.841 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.13 126.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.003 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.3 p -102.23 -36.64 8.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -160.66 147.55 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.494 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.66 HG13 HG12 ' A' ' 69' ' ' ILE . 59.4 t -122.89 116.2 48.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.84 99.1 8.75 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.64 -175.73 5.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.161 -174.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.568 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 2.6 mm-40 -52.9 142.03 35.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 173.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.568 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 10.2 Cg_endo -58.87 -37.01 95.95 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.375 2.05 . . . . 0.0 111.586 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.6 62.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.153 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.27 -46.67 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 28' ' ' MET . 53.1 ttp180 -59.49 -42.14 91.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.947 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -59.91 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.881 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 78.1 ttt180 -56.84 -45.79 82.14 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 91.0 mt -65.29 -40.84 94.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 50.2 mtm -74.72 -31.03 61.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.807 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -64.37 -31.45 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.0 mt -72.05 -46.62 56.3 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.02 -1.89 0.7 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.385 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' ' HG2' ' A' ' 28' ' ' MET . 6.2 tt -83.12 84.51 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.489 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 33.9 m -121.82 -174.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.928 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -67.62 115.97 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.62 -1.93 36.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.25 -175.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.14 126.74 31.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.595 0.236 . . . . 0.0 110.674 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -97.27 128.21 43.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 38' ' ' LEU . 2.1 pt? -139.7 148.25 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.174 0.511 . . . . 0.0 111.62 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -110.29 126.08 53.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.165 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' HA ' HG12 ' A' ' 52' ' ' VAL . 75.1 t -70.05 104.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -71.66 -61.57 1.73 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.89 0.376 . . . . 0.0 110.356 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 42' ' ' ARG . 11.3 mtt180 -160.02 153.04 21.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.047 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' HD2' HG12 ' A' ' 50' ' ' ILE . 34.1 m-85 -92.45 153.97 18.79 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 165.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -58.13 155.15 26.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.41 8.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.48 0.7 0 C-N-CA 123.897 3.065 . . . . 0.0 114.381 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 44' ' ' ALA . 89.2 mt -131.34 -36.85 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.77 -25.16 0.83 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.854 177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -151.3 142.36 15.25 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -85.01 -167.52 5.14 Favored 'Cis proline' 0 C--O 1.234 0.313 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.216 1.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.483 HG12 ' HD2' ' A' ' 43' ' ' PHE . 48.8 mt -116.79 136.04 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -103.72 118.11 35.94 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 40' ' ' VAL . 18.5 m -122.65 136.97 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.08 0.467 . . . . 0.0 111.031 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.68 100.27 12.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -107.44 116.08 31.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.97 35.69 22.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.197 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.46 49.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.791 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.3 mtm -97.39 131.48 44.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.854 0.359 . . . . 0.0 110.728 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.73 105.95 13.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.068 0.461 . . . . 0.0 109.91 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.29 126.92 51.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.626 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 m -107.88 120.79 43.28 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.42 171.14 14.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.227 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 5.4 mmt180 -86.59 151.25 23.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.103 -173.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.67 -38.3 77.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.533 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -65.35 -28.43 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.597 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 38.7 mt-10 -71.43 -38.36 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.96 68.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 44.8 mm-40 -64.05 -40.48 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.113 0.482 . . . . 0.0 110.889 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.43 -18.59 69.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.038 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.66 HG12 HG13 ' A' ' 17' ' ' VAL . 69.8 mt -92.7 128.69 44.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 0.0 111.279 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' MET . 24.6 m -100.78 129.79 46.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.404 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.537 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 27.0 m -122.73 160.4 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 0.0 111.63 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.184 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.442 HD11 ' HE1' ' A' ' 1' ' ' MET . 36.7 mm -70.71 126.8 31.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 13' ' ' GLU . 32.3 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 121.471 0.653 . . . . 0.0 111.032 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.403 ' HE1' HD11 ' A' ' 73' ' ' ILE . 27.4 ttt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 14.1 mptt -83.25 146.83 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.287 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.584 HD23 HD12 ' A' ' 69' ' ' ILE . 20.0 tp -65.05 -29.79 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.522 0.677 . . . . 0.0 109.234 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 t -75.34 -11.24 60.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.039 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER -93.76 -2.3 53.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 -178.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.538 HD12 HD12 ' A' ' 3' ' ' LEU . 62.8 mt -76.86 160.16 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -111.06 169.53 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 108.99 4.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.068 0.461 . . . . 0.0 110.54 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.99 -12.37 20.09 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.212 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.27 137.78 40.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -115.16 122.88 47.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.732 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.93 158.52 43.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.843 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.668 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 15.5 pt-20 -108.19 144.98 34.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.783 0.325 . . . . 0.0 110.162 175.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.4 t -76.35 117.53 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -97.63 -26.81 14.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.65 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.48 ' HB3' ' HB ' ' A' ' 70' ' ' THR . 27.5 t -159.57 157.58 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 HG12 ' A' ' 69' ' ' ILE . 7.6 p -143.08 133.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.13 110.14 9.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.351 . . . . 0.0 110.657 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -164.42 174.06 11.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.116 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.13 146.41 77.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.349 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.58 -40.73 71.91 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.23 2.62 . . . . 0.0 113.124 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.01 86.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.099 0.476 . . . . 0.0 111.059 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.435 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 87.1 t -69.33 -41.88 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.969 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' MET . 35.6 ttm180 -60.88 -47.53 85.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.748 178.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -57.66 -41.09 80.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.617 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.463 HH11 ' HD3' ' A' ' 26' ' ' ARG . 16.9 ttt180 -61.73 -46.33 90.1 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 176.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.2 mt -62.33 -42.74 99.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.569 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.3 mtp -61.51 -38.12 86.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.15 -30.37 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.66 0.41 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.837 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.86 17.01 53.43 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.759 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 tt -98.37 93.95 6.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.243 0.544 . . . . 0.0 109.718 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.72 178.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.547 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -66.1 122.58 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -18.12 40.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.79 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 133.1 46.13 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.668 ' HG2' ' HB3' ' A' ' 13' ' ' GLU . 38.3 mttp -109.78 130.63 55.5 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.123 -174.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -133.14 163.81 28.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.705 -173.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -135.59 134.93 39.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.652 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.761 ' HA ' HG12 ' A' ' 52' ' ' VAL . 57.2 t -73.1 126.45 33.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -91.29 -54.76 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 1.8 ptm180 -157.65 168.02 28.45 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.968 0.414 . . . . 0.0 111.339 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.5 148.61 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.415 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -75.01 165.84 50.52 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 173.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 31.1 Cg_endo -62.81 5.99 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.212 2.608 . . . . 0.0 114.105 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.6 mt -131.97 11.48 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.694 0.283 . . . . 0.0 110.297 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.46 71.45 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.61 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -161.88 128.04 2.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 4.0 Cg_exo -78.48 -179.27 26.4 Favored 'Cis proline' 0 C--O 1.235 0.366 0 C-N-CA 123.663 -1.39 . . . . 0.0 113.416 1.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.29 137.57 55.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.204 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -111.18 124.93 53.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.761 HG12 ' HA ' ' A' ' 40' ' ' VAL . 30.4 m -133.73 157.19 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.069 0.461 . . . . 0.0 111.477 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 50.6 t-20 -105.21 100.98 10.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.539 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 53.8 t -111.46 115.02 28.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.941 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 64.03 20.54 12.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.72 -1.04 63.36 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.881 -177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.6 tpp -96.57 127.79 42.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 105.21 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -130.33 140.46 50.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.406 -174.005 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.8 m -94.93 125.91 39.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.3 ptm -132.52 160.74 35.66 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.231 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.514 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 6.4 mmm180 -87.2 156.91 19.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 0.0 110.388 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.19 -44.76 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.555 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 7.9 p30 -60.39 -28.62 68.37 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 -178.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 43.0 mt-10 -71.83 -38.79 70.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' HB1' ' HG ' ' A' ' 3' ' ' LEU . . . -73.48 -25.98 60.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.754 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.555 ' HG3' ' HA ' ' A' ' 64' ' ' ASN . 2.5 mm-40 -60.22 -46.52 89.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.825 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.41 -16.71 67.66 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.169 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.659 HG12 HG23 ' A' ' 17' ' ' VAL . 64.9 mt -91.56 133.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.294 0.569 . . . . 0.0 111.323 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.48 ' HB ' ' HB3' ' A' ' 16' ' ' SER . 17.7 m -107.26 125.04 50.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.772 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.75 161.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.083 0.468 . . . . 0.0 111.509 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -125.25 119.92 29.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.215 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.403 HD11 ' HE1' ' A' ' 1' ' ' MET . 57.2 mt -63.86 132.66 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.004 0.43 . . . . 0.0 110.689 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 37' ' ' LYS . 48.0 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.565 0.697 . . . . 0.0 110.666 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.713 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -81.28 156.53 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.251 0.548 . . . . 0.0 112.017 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.602 HD12 HD12 ' A' ' 6' ' ' LEU . 31.3 tp -65.56 -29.74 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.525 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 t -71.91 -20.42 61.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.018 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.713 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 20.9 mm-40 -94.42 6.75 47.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.735 -176.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.741 HD22 HD11 ' A' ' 73' ' ' ILE . 23.0 mt -82.25 -179.5 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.141 0.496 . . . . 0.0 111.564 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HE2' ' OD2' ' A' ' 10' ' ' ASP . 38.1 mtmt -126.21 169.27 13.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.359 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 109.41 7.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.24 5.38 34.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.686 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' OD2' ' HE2' ' A' ' 7' ' ' LYS . 1.2 m-20 -87.08 118.81 26.72 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.306 0.574 . . . . 0.0 110.707 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -100.77 119.96 39.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.556 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.799 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -134.89 172.68 12.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.315 -172.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -123.51 131.59 53.68 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 38' ' ' LEU . 59.5 t -70.96 125.39 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.731 0.301 . . . . 0.0 110.845 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -89.95 -52.62 4.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.002 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -153.66 136.7 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.014 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.669 HG13 HG12 ' A' ' 69' ' ' ILE . 25.6 t -102.08 108.46 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.569 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.54 106.91 19.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.22 174.42 15.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 -173.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.826 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -62.47 142.85 96.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.826 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 1.1 Cg_endo -45.53 -49.1 10.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.217 2.611 . . . . 0.0 113.236 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.42 70.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.422 HG11 ' OE1' ' A' ' 65' ' ' GLU . 77.9 t -65.94 -44.29 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.018 0.437 . . . . 0.0 110.212 -177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -61.11 -43.54 98.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.709 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 51.5 tpt85 -59.91 -40.24 88.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.669 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 99.3 mtt180 -69.88 -47.35 62.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.729 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 41.4 mtm -69.35 -28.61 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' ARG . 15.9 t70 -68.09 -35.46 78.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.8 mt -73.44 -42.5 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.306 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.3 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' HG2' ' A' ' 28' ' ' MET . 4.9 tt -101.61 91.33 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.25 -178.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -66.14 129.37 39.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.266 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 -0.98 79.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.97 126.2 30.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.83 0.347 . . . . 0.0 110.282 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -92.14 124.64 36.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.669 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.595 HD22 HG23 ' A' ' 14' ' ' VAL . 2.4 pt? -135.42 149.58 49.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 -176.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.73 124.58 47.65 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.701 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.503 HG22 HG12 ' A' ' 52' ' ' VAL . 95.0 t -70.57 109.62 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.34 -54.8 20.41 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -171.41 165.87 7.0 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.298 0.57 . . . . 0.0 110.463 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.87 153.17 17.9 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 167.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.3 162.25 34.49 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 25.1 Cg_endo -61.11 6.13 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.133 2.555 . . . . 0.0 113.796 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 44' ' ' ALA . 95.3 mt -132.45 14.62 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.19 -20.45 16.68 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.387 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -144.21 138.89 15.25 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.29 -170.05 7.59 Favored 'Cis proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.666 -1.389 . . . . 0.0 113.515 0.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.625 HD11 ' HG3' ' A' ' 63' ' ' ARG . 38.8 mt -118.35 140.63 41.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.37 115.05 29.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.075 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.503 HG12 HG22 ' A' ' 40' ' ' VAL . 25.4 m -121.72 136.26 59.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.918 0.389 . . . . 0.0 110.753 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -97.79 101.41 12.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.5 t -107.03 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -173.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 57.0 26.65 12.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.085 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.3 62.81 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.936 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -105.87 121.94 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.17 109.07 15.36 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.57 140.33 39.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.991 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.1 m -127.06 129.45 48.04 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.63 176.8 11.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.789 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.613 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 18.0 mmm180 -79.64 149.31 31.33 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.625 ' HG3' HD11 ' A' ' 50' ' ' ILE . 67.4 ttt180 -62.35 -28.78 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -54.73 -42.66 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.853 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.613 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.3 mm-40 -67.29 -38.28 84.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.343 0.592 . . . . 0.0 109.91 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.48 64.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.144 -174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.28 -34.74 79.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.529 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.63 -34.35 83.47 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.568 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.669 HG12 HG13 ' A' ' 17' ' ' VAL . 50.9 mt -80.58 122.51 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.915 0.388 . . . . 0.0 111.152 -175.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 m -97.45 130.11 44.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.651 HG21 HD11 ' A' ' 6' ' ' LEU . 26.9 m -133.31 155.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -114.96 123.22 48.55 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.799 HD13 ' HB2' ' A' ' 12' ' ' ALA . 10.5 mm -68.93 122.29 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.215 0.531 . . . . 0.0 111.078 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.445 -0.711 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.491 178.468 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.86 0.362 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.579 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 12.8 mptt -78.0 155.87 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 6' ' ' LEU . 37.8 tp -65.99 -31.66 72.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.853 173.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 p -77.75 -12.98 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.641 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.579 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 57.3 mm-40 -87.37 -6.5 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 3' ' ' LEU . 84.9 mt -76.85 176.81 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.593 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 7.7 ptpp? -126.8 170.94 11.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.825 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 113.69 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.17 -12.1 19.7 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.643 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.593 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 5.0 m-20 -69.02 141.89 54.73 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.14 0.495 . . . . 0.0 111.432 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -117.22 121.29 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.889 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -142.14 155.86 45.34 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.221 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' HD21 ' A' ' 74' ' ' LEU . 10.2 pt-20 -107.26 138.6 43.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 172.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.37 128.22 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.167 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -96.48 -41.85 8.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.236 0.541 . . . . 0.0 109.994 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 p -157.12 142.85 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.218 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.677 HG23 HG12 ' A' ' 69' ' ' ILE . 2.6 p -118.86 109.87 28.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.35 100.49 13.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.686 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.18 164.08 36.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.488 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -62.69 144.73 96.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -47.44 -48.19 15.93 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.608 2.872 . . . . 0.0 113.662 -175.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.09 83.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.77 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.19 -44.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' MET . 41.8 ttp180 -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.787 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 5.6 tpt180 -57.73 -45.0 86.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.984 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 89.0 mtt180 -58.62 -43.73 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.496 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.24 -39.32 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.6 mtp -67.21 -38.62 85.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.16 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.49 -34.19 77.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.099 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.0 mt -68.93 -39.33 79.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 109.985 176.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.71 -9.69 2.1 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.254 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.23 94.0 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.489 -175.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -139.03 178.57 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.39 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -57.63 119.46 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 0.0 110.627 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -10.68 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.157 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HB1' HD21 ' A' ' 55' ' ' ASN . . . -68.61 127.11 31.85 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.782 0.291 . . . . 0.0 111.123 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.03 133.0 34.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.181 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 38' ' ' LEU . 3.1 pp -137.59 152.31 49.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 0.0 111.472 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.83 129.19 55.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.44 171.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.744 ' HA ' HG12 ' A' ' 52' ' ' VAL . 52.9 t -73.72 116.63 16.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 53' ' ' ASN . 91.3 mt -88.01 -57.53 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.278 -174.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -155.4 159.44 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.331 0.586 . . . . 0.0 110.847 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.79 149.93 39.15 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.072 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -68.54 166.4 26.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.644 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.8 Cg_endo -58.19 7.14 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.539 2.826 . . . . 0.0 114.19 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 44' ' ' ALA . 23.4 mt -131.11 -1.21 4.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.865 0.364 . . . . 0.0 110.281 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.81 -5.08 80.49 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.98 132.92 8.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.02 -175.24 16.33 Favored 'Cis proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.306 -1.539 . . . . 0.0 113.333 0.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -120.08 140.55 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.245 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -112.17 119.23 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 40' ' ' VAL . 27.2 m -128.56 159.58 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.027 0.442 . . . . 0.0 111.303 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.53 HD22 HD13 ' A' ' 58' ' ' LEU . 25.9 t-20 -110.71 101.76 10.37 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.47 126.15 55.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.444 HD21 ' HB1' ' A' ' 36' ' ' ALA . 27.5 m-80 62.22 21.58 12.56 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.94 0.39 85.69 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.189 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.474 ' HB3' HD21 ' A' ' 59' ' ' LEU . 37.4 ttm -104.09 134.42 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.837 0.351 . . . . 0.0 110.103 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.53 HD13 HD22 ' A' ' 53' ' ' ASN . 2.8 mm? -76.77 106.52 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 57' ' ' MET . 6.8 mt -108.83 139.12 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -177.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.3 m -130.72 119.74 22.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.464 0.649 . . . . 0.0 110.796 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 174.19 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.254 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -91.05 168.46 11.63 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.112 0.482 . . . . 0.0 110.5 -175.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -65.23 -27.24 68.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.898 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -52.75 -45.65 67.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.758 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.1 mp0 -71.97 -44.09 64.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.217 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.34 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.416 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.66 -40.93 89.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.238 0.542 . . . . 0.0 110.551 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.84 -31.14 77.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.229 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.677 HG12 HG23 ' A' ' 17' ' ' VAL . 63.7 mt -80.41 121.38 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.099 0.476 . . . . 0.0 111.239 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 m -100.17 129.35 46.18 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 6' ' ' LEU . 33.8 m -127.75 166.8 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.07 0.462 . . . . 0.0 111.259 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -130.74 123.69 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.715 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 70.6 mt -67.1 134.19 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.195 0.521 . . . . 0.0 111.593 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 13' ' ' GLU . 81.7 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.861 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.887 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 10.8 mptt -80.37 155.81 27.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.044 0.45 . . . . 0.0 111.073 -177.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 6' ' ' LEU . 26.6 tp -65.33 -30.32 71.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.56 172.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 p -77.96 -14.5 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.868 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.887 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 52.6 mt-10 -84.69 -5.16 59.3 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.286 0.565 . . . . 0.0 110.631 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 3' ' ' LEU . 84.4 mt -76.72 168.41 20.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.763 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.536 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 28.1 mmtm -108.07 166.18 10.92 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 92.6 0.93 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.179 0.514 . . . . 0.0 110.243 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 -10.43 4.81 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.573 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.536 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 1.5 m-20 -70.78 134.89 47.78 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 111.184 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' HG2' HD12 ' A' ' 74' ' ' LEU . 30.3 ttm-85 -106.54 127.25 53.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.205 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.53 173.99 11.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.065 0.459 . . . . 0.0 111.239 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.645 ' HB2' HD21 ' A' ' 74' ' ' LEU . 44.6 tt0 -125.52 135.92 52.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.109 175.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.558 HG23 HD22 ' A' ' 38' ' ' LEU . 88.7 t -72.28 109.75 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.451 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 17.5 p -86.95 -30.44 21.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -161.27 149.51 15.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.636 0.255 . . . . 0.0 111.021 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.683 HG12 HG12 ' A' ' 69' ' ' ILE . 2.7 m -120.17 109.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.39 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.04 94.17 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.189 0.518 . . . . 0.0 111.229 -177.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.15 176.77 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.479 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.57 143.73 36.45 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 123.318 0.386 . . . . 0.0 110.106 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.44 -35.19 74.86 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 123.076 2.517 . . . . 0.0 112.516 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -69.0 -49.86 54.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 56.4 t -64.81 -43.78 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.336 0.589 . . . . 0.0 109.739 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HB3' ' HE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -54.05 -41.86 68.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.314 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -72.17 -45.86 58.73 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 95.5 mtt180 -59.01 -32.32 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.036 -177.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 93.3 mt -68.64 -46.07 70.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.356 -0.383 . . . . 0.0 109.977 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 27.5 mtm -65.8 -39.44 90.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -27.42 69.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.332 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 82.4 mt -76.6 -45.21 31.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.82 -0.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.427 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 4.9 tt -90.83 83.91 5.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 28' ' ' MET . 27.7 m -107.3 172.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.684 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD2' ' O ' ' A' ' 15' ' ' THR . 13.8 ttp85 -70.85 121.55 18.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -4.8 39.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.357 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 55' ' ' ASN . . . -75.28 132.02 40.74 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.763 -0.257 . . . . 0.0 110.622 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -92.69 129.9 38.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.583 ' CB ' ' HA ' ' A' ' 54' ' ' CYS . 2.4 pt? -137.05 164.89 27.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.063 0.458 . . . . 0.0 111.366 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -131.94 133.3 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.518 ' HA ' HG12 ' A' ' 52' ' ' VAL . 92.5 t -73.29 132.81 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.07 -56.05 2.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.734 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -158.02 156.66 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.501 ' CE2' HG11 ' A' ' 40' ' ' VAL . 76.2 m-85 -116.79 138.7 51.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.119 174.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -68.44 164.91 39.68 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 23.7 Cg_endo -61.08 6.35 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.774 0 C-N-CA 123.381 2.721 . . . . 0.0 114.163 -178.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.6 mt -132.22 11.71 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.25 19.62 70.53 Favored Glycine 0 C--N 1.332 0.347 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -172.77 128.89 0.56 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 114.72 -0.74 . . . . 0.0 109.099 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.04 -179.84 28.79 Favored 'Cis proline' 0 C--O 1.234 0.311 0 C-N-CA 123.321 -1.533 . . . . 0.0 113.164 -0.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.6 mt -121.08 135.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 -177.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.12 118.56 37.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 40' ' ' VAL . 27.5 m -131.98 149.28 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.059 0.457 . . . . 0.0 111.33 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 57' ' ' MET . 46.3 t-20 -102.95 100.85 10.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.583 ' HA ' ' CB ' ' A' ' 38' ' ' LEU . 51.6 t -101.45 107.04 18.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -174.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HB2' ' HB1' ' A' ' 36' ' ' ALA . 42.1 t30 63.14 31.24 15.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.507 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.76 22.1 21.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.536 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.489 ' HG2' HD22 ' A' ' 59' ' ' LEU . 33.8 ttp -138.22 129.41 27.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.534 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.71 110.32 22.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -134.74 134.32 40.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.239 0.543 . . . . 0.0 110.773 -177.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.1 m -102.18 120.92 41.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.172 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -136.26 179.51 6.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -91.85 159.93 15.55 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.029 0.443 . . . . 0.0 111.254 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HG2' ' HG2' ' A' ' 67' ' ' GLU . 70.2 ttt180 -65.45 -35.16 80.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.433 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -58.23 -30.13 66.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.125 0.488 . . . . 0.0 110.527 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.501 ' O ' HG13 ' A' ' 69' ' ' ILE . 29.9 mt-10 -75.61 -42.89 50.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.057 176.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.55 75.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.026 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 42.7 mm-40 -54.83 -43.86 73.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.191 0.52 . . . . 0.0 110.697 173.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.08 -28.5 73.79 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.394 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.683 HG12 HG12 ' A' ' 17' ' ' VAL . 76.9 mt -80.49 120.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.265 0.555 . . . . 0.0 111.065 -177.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.4 m -96.92 128.77 44.21 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.154 175.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.517 HG21 HD11 ' A' ' 6' ' ' LEU . 35.5 m -127.54 166.23 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.094 0.473 . . . . 0.0 111.153 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -128.09 126.74 41.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.972 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.86 132.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 111.069 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 13' ' ' GLU . 79.1 mt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.705 -178.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.418 ' HE1' HG12 ' A' ' 73' ' ' ILE . 54.0 ttp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.718 0.294 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.896 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 14.1 mptt -83.3 159.28 21.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 6' ' ' LEU . 46.1 tp -65.64 -29.76 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.489 171.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.2 p -75.46 -10.88 59.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.389 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.896 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 41.0 mt-10 -93.84 -9.03 38.69 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.849 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 3' ' ' LEU . 81.6 mt -69.27 163.29 25.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.087 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.634 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 5.5 ptpp? -132.93 24.91 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.52 137.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.374 0.607 . . . . 0.0 111.483 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.22 5.8 86.95 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.634 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 70.2 m-20 -102.69 126.67 49.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.058 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -102.61 120.45 40.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.655 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -138.97 155.86 47.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.96 -175.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -104.4 141.31 36.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.47 109.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.594 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 p -83.69 -36.39 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.631 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -155.88 127.63 7.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.416 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.803 HG23 HG12 ' A' ' 69' ' ' ILE . 2.9 p -108.99 109.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.293 0.568 . . . . 0.0 110.858 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.48 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.3 141.41 37.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.156 176.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -172.6 -176.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.674 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.19 144.53 99.05 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -47.58 -46.1 21.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.404 2.736 . . . . 0.0 112.964 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.99 75.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.309 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.489 HG11 ' HG2' ' A' ' 65' ' ' GLU . 53.8 t -70.92 -43.78 76.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.842 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.592 ' O ' ' HG3' ' A' ' 28' ' ' MET . 5.5 tmm_? -62.21 -37.64 86.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.901 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -66.5 -47.18 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.923 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 tmt_? -61.61 -40.33 94.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.742 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -65.22 -38.64 91.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.761 177.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.2 mtm -71.82 -31.37 66.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.519 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.77 -30.11 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 83.8 mt -72.08 -43.27 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.39 5.78 0.48 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.827 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tt -92.35 92.97 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.107 0.48 . . . . 0.0 109.862 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.99 -178.13 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.855 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -67.56 120.57 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.53 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.27 0.46 40.94 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.134 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.69 128.89 36.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.536 0.207 . . . . 0.0 110.797 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 10.8 mptt -95.65 126.01 40.63 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 3.4 pp -130.9 154.92 47.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 0.0 111.738 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -125.9 123.67 39.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.087 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HA ' HG12 ' A' ' 52' ' ' VAL . 62.4 t -67.69 116.47 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 53' ' ' ASN . 68.0 mt -79.75 -56.88 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 -175.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -169.18 164.69 11.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 91.8 m-85 -108.28 156.92 18.83 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.655 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -65.05 167.78 8.93 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 171.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.655 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 11.1 Cg_endo -54.0 -7.16 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.158 2.572 . . . . 0.0 113.749 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -132.09 19.61 4.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 0.0 110.177 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.617 ' HA2' ' HB3' ' A' ' 43' ' ' PHE . . . 82.72 -40.72 2.79 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.185 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.28 132.05 21.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.893 0.477 . . . . 0.0 110.16 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 5.0 Cg_exo -80.19 -178.66 23.62 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 124.112 -1.203 . . . . 0.0 113.288 0.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.521 HG12 ' HD1' ' A' ' 43' ' ' PHE . 57.2 mt -117.09 134.47 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.691 -176.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -94.66 117.69 30.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.51 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 40' ' ' VAL . 18.7 m -130.93 140.93 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.217 0.532 . . . . 0.0 111.633 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.539 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 26.8 t-20 -94.76 100.9 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.562 ' HB3' HD23 ' A' ' 59' ' ' LEU . 50.9 t -109.33 114.57 28.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -174.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 63.52 29.37 15.34 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.658 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.22 14.31 80.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.739 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.1 ttm -118.22 142.5 47.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.9 mt -82.75 111.62 18.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.703 0.287 . . . . 0.0 110.339 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 54' ' ' CYS . 3.9 mm? -113.85 147.12 38.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.266 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.2 m -127.69 119.56 26.09 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.446 ' CE ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -135.02 168.03 19.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.566 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.585 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 13.8 mmm-85 -94.5 163.6 13.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.806 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -64.74 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.558 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -61.0 -33.85 73.9 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.575 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HG2' HG11 ' A' ' 23' ' ' VAL . 1.3 mp0 -74.99 -35.08 62.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.133 0.492 . . . . 0.0 110.03 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.446 ' HB2' ' CE ' ' A' ' 61' ' ' MET . . . -66.67 -29.69 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.805 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.35 -37.92 88.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.721 0.296 . . . . 0.0 110.586 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.08 -30.33 75.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.427 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.803 HG12 HG23 ' A' ' 17' ' ' VAL . 56.1 mt -81.69 121.17 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.974 0.416 . . . . 0.0 111.267 -175.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.7 m -101.41 132.46 46.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 6' ' ' LEU . 35.4 m -126.84 159.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.114 0.483 . . . . 0.0 111.794 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -123.77 121.71 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.464 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' A' ' 12' ' ' ALA . 23.5 mm -64.65 126.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.161 0.505 . . . . 0.0 111.735 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.713 177.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 1.059 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 5.3 mptp? -72.81 152.88 41.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.541 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 6' ' ' LEU . 41.2 tp -65.32 -30.28 71.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.505 0.669 . . . . 0.0 109.327 171.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.5 t -76.46 -11.79 59.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.155 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 1.059 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 8.3 mm-40 -82.17 -14.6 55.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.651 0.263 . . . . 0.0 110.635 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 3' ' ' LEU . 89.0 mt -70.09 168.38 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 23.6 pttm -133.28 24.84 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -169.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 69.75 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.649 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.09 -7.62 64.6 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 26.9 m-20 -91.02 137.76 32.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.45 -178.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -113.68 125.1 53.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 173.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.43 156.82 47.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.274 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.805 ' HB2' HD21 ' A' ' 74' ' ' LEU . 35.7 tt0 -100.47 135.52 41.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.2 107.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.47 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.7 p -83.42 -34.78 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.172 0.511 . . . . 0.0 110.08 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -164.53 143.23 7.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.297 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.762 HG23 HG12 ' A' ' 69' ' ' ILE . 2.8 p -120.53 112.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.25 109.56 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.212 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.59 161.44 41.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.153 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.72 146.18 90.91 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -40.85 -52.91 3.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.951 3.101 . . . . 0.0 113.686 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.01 98.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.632 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 86.8 t -71.87 -42.02 69.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.618 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 28' ' ' MET . 6.2 tmm_? -63.33 -39.51 94.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.49 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 25' ' ' ARG . 15.4 ttp180 -72.6 -38.04 67.94 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.0 ttt-85 -58.5 -43.93 89.23 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.396 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 94.5 mt -64.12 -39.29 93.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.5 mtm -69.54 -34.36 74.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.785 0.326 . . . . 0.0 110.433 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -66.13 -28.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.07 -39.93 48.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.205 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.69 3.23 0.71 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.851 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.0 tt -92.18 97.39 10.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.981 0.42 . . . . 0.0 109.887 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.18 176.8 8.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.468 HH21 ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -69.25 116.23 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 105.81 -0.96 38.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.082 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.3 143.75 42.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.747 0.308 . . . . 0.0 110.599 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -104.22 120.49 41.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.2 pp -120.43 146.47 46.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.323 0.583 . . . . 0.0 111.406 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -123.03 120.28 32.86 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.708 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 8' ' ' ALA . 94.1 t -71.67 114.57 10.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.747 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -80.18 -49.15 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 44.8 ttt-85 -173.02 161.58 4.43 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.463 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 98.3 m-85 -115.22 144.54 43.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.574 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.29 166.12 11.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 24.5 Cg_endo -61.16 5.17 0.18 Allowed 'Trans proline' 0 N--CA 1.48 0.702 0 C-N-CA 123.107 2.538 . . . . 0.0 113.888 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.4 mt -133.43 6.28 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.715 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.88 4.82 86.19 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.135 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -149.83 126.2 5.21 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.33 -174.69 14.83 Favored 'Cis proline' 0 C--O 1.237 0.425 0 C-N-CA 123.559 -1.434 . . . . 0.0 113.61 1.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.443 HG22 HG13 ' A' ' 52' ' ' VAL . 68.3 mt -123.62 133.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.472 -177.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -101.12 117.21 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.659 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 40' ' ' VAL . 30.1 m -132.27 149.1 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 25.7 t-20 -106.0 106.93 17.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.583 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.8 t -107.14 111.62 24.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.496 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 56.41 27.97 12.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.707 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.46 -2.8 63.11 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.282 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -100.78 130.59 46.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.062 0.431 . . . . 0.0 110.291 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 53' ' ' ASN . 78.6 mt -83.55 103.19 12.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -105.29 133.04 50.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.185 -175.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.5 m -102.77 119.89 39.63 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.3 mtm -130.49 169.15 15.93 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.43 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -95.75 175.07 6.66 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.767 177.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -65.25 -33.79 76.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -53.94 -49.83 67.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.148 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 69' ' ' ILE . 15.2 mp0 -62.85 -47.91 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.511 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.42 73.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.303 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 5.9 mm-40 -65.62 -41.46 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.221 0.534 . . . . 0.0 110.342 175.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.03 -31.08 74.5 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.722 -0.672 . . . . 0.0 113.067 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.762 HG12 HG23 ' A' ' 17' ' ' VAL . 61.7 mt -77.59 129.55 37.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.119 0.485 . . . . 0.0 111.885 -175.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -103.37 120.08 40.12 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.475 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.7 m -122.95 167.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.746 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -133.91 123.39 24.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.463 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.91 128.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.164 0.507 . . . . 0.0 111.415 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 13' ' ' GLU . 96.2 mt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.667 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.928 0.394 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.906 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.1 mptt -81.97 158.78 23.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 -173.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.581 HD12 HD12 ' A' ' 6' ' ' LEU . 43.2 tp -65.81 -28.92 69.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.657 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -74.95 -20.74 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.649 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.906 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 54.4 mt-10 -87.0 -2.71 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.952 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.768 HD22 HD11 ' A' ' 73' ' ' ILE . 29.3 mt -71.58 175.95 5.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.7 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -121.07 161.62 21.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 108.59 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.493 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -3.32 25.83 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.019 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -80.58 137.95 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.792 0.329 . . . . 0.0 111.105 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -100.91 131.73 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.611 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.95 159.37 42.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.185 0.516 . . . . 0.0 111.53 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.523 ' HB2' HD21 ' A' ' 74' ' ' LEU . 40.7 tt0 -116.99 128.09 54.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.58 123.69 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.791 0.329 . . . . 0.0 110.961 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 p -103.45 -28.24 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' THR . 60.2 m -154.69 144.29 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.625 0.25 . . . . 0.0 111.044 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.424 HG13 HG12 ' A' ' 69' ' ' ILE . 22.4 t -128.67 128.95 68.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.513 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.52 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -134.27 118.82 17.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.737 0.303 . . . . 0.0 110.565 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.39 177.7 10.97 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -59.6 145.34 83.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -45.39 -52.03 7.15 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.711 2.941 . . . . 0.0 113.971 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.08 59.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 0.0 111.086 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.95 -42.24 46.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -63.8 -38.94 92.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.519 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -56.02 -47.67 77.39 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 174.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -60.89 -43.8 97.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.77 -48.57 78.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.688 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.611 ' SD ' HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -69.73 -29.24 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.962 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.9 -41.49 91.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.23 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.3 -63.51 1.05 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.993 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 163.87 30.76 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -105.57 87.64 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.611 HG12 ' SD ' ' A' ' 28' ' ' MET . 35.5 m -132.59 179.55 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -67.45 117.59 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 -3.45 49.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.133 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.19 130.77 39.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -108.56 126.66 53.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.656 -175.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -136.16 165.3 26.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.211 0.529 . . . . 0.0 111.741 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -127.55 129.15 46.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.861 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.798 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.3 t -69.64 129.61 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.108 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.838 HD11 HD22 ' A' ' 58' ' ' LEU . 86.1 mt -92.77 -59.48 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.146 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -166.69 161.95 16.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.086 0.469 . . . . 0.0 110.254 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' HD1' HG12 ' A' ' 50' ' ' ILE . 75.6 m-85 -113.79 150.99 32.64 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -71.29 164.22 59.15 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 28.9 Cg_endo -62.13 6.1 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.6 0 C-N-CA 123.348 2.699 . . . . 0.0 114.125 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.65 6.28 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.42 6.77 86.81 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.694 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -151.12 124.99 4.38 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.84 -176.51 14.86 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.596 -1.418 . . . . 0.0 112.828 -0.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.476 HG22 HG13 ' A' ' 52' ' ' VAL . 61.1 mt -118.99 134.32 62.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.298 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.05 118.83 37.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.6 m -136.86 144.07 33.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.754 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -88.94 101.11 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 38.0 t -114.58 121.62 44.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.38 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 64.38 25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.789 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.89 -7.4 67.53 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.006 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.509 ' HB2' HD21 ' A' ' 59' ' ' LEU . 62.1 mtm -113.23 137.84 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.843 0.322 . . . . 0.0 111.023 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.838 HD22 HD11 ' A' ' 41' ' ' LEU . 43.7 mt -75.3 101.95 4.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 57' ' ' MET . 9.6 mt -100.83 152.14 20.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -176.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.5 m -134.9 120.21 18.99 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.235 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.58 173.4 11.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.147 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.485 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 1.0 OUTLIER -90.71 165.77 13.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.264 0.554 . . . . 0.0 111.167 -175.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -65.07 -27.52 68.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.731 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.415 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 25.9 m-20 -54.12 -46.25 72.11 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.304 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.5 mp0 -68.11 -49.19 62.75 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.468 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.18 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.079 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.104 0.478 . . . . 0.0 110.755 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.52 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.93 -20.33 72.49 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.141 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 65' ' ' GLU . 43.5 mt -92.34 124.83 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.259 0.552 . . . . 0.0 111.12 -176.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 16' ' ' SER . 56.7 m -99.52 129.31 45.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.204 175.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.56 HG21 HD11 ' A' ' 6' ' ' LEU . 32.7 m -125.46 163.06 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.991 0.424 . . . . 0.0 111.325 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -126.76 124.5 39.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.547 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.768 HD11 HD22 ' A' ' 6' ' ' LEU . 21.9 mm -64.94 128.75 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -178.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 13' ' ' GLU . 85.7 mt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.422 ' HG3' ' OE1' ' A' ' 5' ' ' GLU . 37.5 ttp . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.784 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 5.3 mptp? -77.89 152.63 33.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.021 0.438 . . . . 0.0 111.286 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 6' ' ' LEU . 34.7 tp -65.31 -30.18 71.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.288 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -77.17 -13.39 59.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.241 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.784 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 61.3 mt-10 -93.47 -0.72 56.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.411 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 3' ' ' LEU . 43.3 mt -78.95 179.29 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 111.856 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.9 157.6 44.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.709 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 111.74 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.337 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.12 -6.2 21.68 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.174 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 152.79 27.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.615 0.245 . . . . 0.0 110.508 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -131.31 124.11 29.75 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.59 163.24 33.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.414 . . . . 0.0 111.516 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -111.9 128.22 56.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 49.3 t -68.93 125.74 27.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.052 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.466 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 16.3 p -103.67 -20.93 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.756 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.1 t -165.04 136.04 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 110.898 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.682 HG13 HG12 ' A' ' 69' ' ' ILE . 21.5 t -112.38 108.77 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.577 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.27 131.72 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.853 0.359 . . . . 0.0 110.761 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.84 -178.48 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.29 143.45 79.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -45.73 -48.31 12.43 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.495 2.797 . . . . 0.0 113.34 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.78 62.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.79 0.328 . . . . 0.0 111.412 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.63 -40.16 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.201 0.524 . . . . 0.0 110.432 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' MET . 23.2 ttm180 -57.3 -51.68 68.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.478 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -72.4 -26.08 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.102 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 18.8 ttt180 -62.28 -40.62 96.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 ' HG2' ' A' ' 65' ' ' GLU . 84.1 mt -75.07 -38.88 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 94.7 mtp -65.55 -40.86 93.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.201 0.524 . . . . 0.0 110.403 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -26.22 66.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.639 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.5 mt -71.17 -41.43 70.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.0 1.28 0.71 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.434 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.54 87.94 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.2 m -133.26 -176.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' HA ' ' A' ' 15' ' ' THR . 11.1 ttm180 -64.18 124.66 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.7 -9.03 47.63 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -70.68 113.55 7.89 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -93.96 117.21 29.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.8 pp -129.05 156.57 43.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.291 0.567 . . . . 0.0 112.13 -173.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -124.38 128.26 48.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.426 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.6 t -72.92 122.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.2 mt -82.49 -65.98 0.94 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.279 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -153.47 163.41 40.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.435 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -107.04 145.28 32.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.332 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.53 163.23 28.24 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 24.4 Cg_endo -61.62 6.11 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.19 2.593 . . . . 0.0 114.078 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -132.59 10.88 4.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 0.0 110.062 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.87 13.78 78.67 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.946 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -168.57 129.09 1.06 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.822 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 90.6 Cg_endo -80.5 -168.13 6.56 Favored 'Cis proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.549 -1.438 . . . . 0.0 113.575 0.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.0 mt -124.89 138.84 52.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.534 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.4 118.06 36.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.2 m -126.83 138.63 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.148 0.499 . . . . 0.0 111.24 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 22.0 t-20 -92.93 101.3 13.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.576 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 48.2 t -105.82 113.24 26.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 65.57 21.4 11.72 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.759 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.87 72.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.473 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.0 ttp -118.29 141.25 48.71 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 112.14 19.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.111 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 54' ' ' CYS . 3.6 mm? -114.03 145.33 41.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.2 m -135.14 120.46 19.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.636 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.49 ' CE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -140.96 165.94 26.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -178.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.822 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 11.7 mmm-85 -92.03 165.62 13.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.248 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -63.78 -35.83 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.216 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.03 -28.01 68.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.734 0.302 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.591 ' HG2' HD11 ' A' ' 27' ' ' LEU . 2.6 mp0 -75.53 -47.87 25.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 171.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.49 ' HB2' ' CE ' ' A' ' 61' ' ' MET . . . -60.2 -29.74 68.92 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 4.3 mm-40 -65.13 -45.33 85.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 175.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.577 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.11 -34.28 85.9 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.568 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 17' ' ' VAL . 53.6 mt -74.33 125.38 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.087 0.47 . . . . 0.0 110.716 -177.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.5 m -113.64 126.32 55.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.19 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.428 HG21 HD11 ' A' ' 6' ' ' LEU . 29.3 m -119.68 157.29 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.124 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -109.48 127.0 54.11 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.13 124.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.446 0.641 . . . . 0.0 112.537 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.614 175.722 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.814 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 9.5 mptt -91.83 153.4 19.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 6' ' ' LEU . 41.9 tp -65.43 -29.84 70.57 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.997 174.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 p -74.19 -15.52 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.405 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.814 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 80.0 mt-10 -88.77 -14.75 36.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.926 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 3' ' ' LEU . 17.1 mt -62.76 167.0 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.374 0.607 . . . . 0.0 111.818 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -111.31 160.54 16.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.951 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.18 104.38 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.916 0.388 . . . . 0.0 110.418 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.39 -5.75 21.28 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.831 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 146.7 29.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.511 . . . . 0.0 111.569 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -111.81 128.48 56.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.878 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.14 167.0 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 112.383 -175.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.642 ' HB2' HD21 ' A' ' 74' ' ' LEU . 4.5 tp10 -111.56 133.45 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.588 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 38' ' ' LEU . 85.3 t -77.32 109.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.111 176.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 p -89.17 -41.31 12.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 110.508 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -154.68 106.26 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.115 0.483 . . . . 0.0 110.655 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.878 HG23 HG12 ' A' ' 69' ' ' ILE . 2.4 p -86.68 109.81 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.252 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.93 140.83 38.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.943 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.67 -176.92 1.33 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 tp10 -58.88 143.13 83.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.54 ' HD2' ' HG3' ' A' ' 20' ' ' GLU . 4.1 Cg_endo -50.08 -43.42 42.42 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.767 2.311 . . . . 0.0 112.34 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -41.44 85.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.484 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -73.36 -44.46 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.327 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 24' ' ' ARG . 19.3 ttp85 -59.61 -42.67 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.055 178.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -57.95 -45.5 86.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.474 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 62.9 ttt180 -65.68 -46.41 79.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.617 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.1 -46.48 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.2 mtp -64.75 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.796 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.89 -30.24 63.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.3 mt -71.79 -44.05 64.63 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.19 -9.69 0.44 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.969 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -79.7 89.53 5.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.375 0.607 . . . . 0.0 109.836 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.87 179.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.901 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -66.11 114.92 5.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.13 37.46 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.252 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.4 114.12 14.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.66 0.266 . . . . 0.0 110.807 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.65 127.23 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 14' ' ' VAL . 2.5 pt? -137.68 156.86 47.56 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.239 0.542 . . . . 0.0 111.278 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -132.38 132.68 43.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.957 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -73.8 116.0 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.911 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 58' ' ' LEU . 75.2 mt -78.98 -55.48 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.794 -175.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -168.88 163.22 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.435 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -108.26 151.4 26.01 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -67.62 166.02 25.6 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 173.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.1 Cg_endo -59.66 5.28 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 123.295 2.664 . . . . 0.0 114.382 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.03 12.63 4.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 4.92 75.01 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.14 -0.552 . . . . 0.0 111.79 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -160.88 132.24 3.94 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 85.6 Cg_endo -77.45 -168.21 6.69 Favored 'Cis proline' 0 C--O 1.236 0.383 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.604 1.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.482 HD11 ' HG3' ' A' ' 63' ' ' ARG . 46.9 mt -128.31 139.05 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 -176.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -96.67 123.08 40.25 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.37 140.85 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 111.501 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' A' ' 41' ' ' LEU . 45.4 t-20 -95.85 101.58 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 59' ' ' LEU . 47.5 t -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.411 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 58.9 29.7 19.2 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.939 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.02 63.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.682 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.7 mtm -108.94 138.9 44.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.817 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 41' ' ' LEU . 56.7 mt -95.56 104.47 16.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.924 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -127.8 133.16 49.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.55 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 m -104.48 121.61 43.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.921 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.11 175.96 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.165 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.532 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 3.5 mmm180 -89.88 150.59 22.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.415 -174.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HG3' HD11 ' A' ' 50' ' ' ILE . 57.9 ttt-85 -62.99 -32.49 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.053 -175.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.677 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 4.2 mm-40 -73.58 -40.8 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.701 . . . . 0.0 109.253 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 69' ' ' ILE . . . -66.1 -25.24 66.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.802 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.97 -43.91 97.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.076 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.85 -30.54 76.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.331 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.878 HG12 HG23 ' A' ' 17' ' ' VAL . 51.2 mt -74.46 117.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -98.32 123.34 42.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.865 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.7 m -126.1 164.74 25.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.699 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -131.46 126.84 36.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.7 mt -61.2 129.41 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 13' ' ' GLU . 83.8 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.945 -178.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.887 0.375 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.873 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -84.58 155.08 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -175.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 6' ' ' LEU . 36.1 tp -65.7 -31.54 72.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.75 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 7.1 p -76.34 -14.47 60.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.766 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.873 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 91.6 mt-10 -87.31 -6.67 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 3' ' ' LEU . 76.2 mt -72.26 164.69 25.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.73 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -132.62 31.82 3.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.47 136.85 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.59 0.756 . . . . 0.0 112.065 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.06 -7.82 76.21 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.871 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 23.5 m-20 -79.76 134.68 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.177 0.191 . . . . 0.0 110.995 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.14 119.6 39.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -134.54 142.71 47.08 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.455 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' OE1' ' HE2' ' A' ' 37' ' ' LYS . 35.6 tt0 -91.58 131.79 36.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.273 174.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 86.0 t -79.49 115.28 21.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.127 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.427 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 14.7 p -97.87 -34.46 10.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.406 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -154.03 146.09 23.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.734 HG13 HG12 ' A' ' 69' ' ' ILE . 41.7 t -125.7 113.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.497 -177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.58 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -104.9 118.45 36.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.35 177.39 11.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.365 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.53 141.53 97.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.03 -46.66 15.69 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.385 2.723 . . . . 0.0 113.664 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.69 -39.66 57.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.91 0.386 . . . . 0.0 111.097 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.15 -37.7 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.87 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -57.68 -47.6 81.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.828 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -66.72 -32.34 73.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.513 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 79.1 ttt180 -63.52 -42.88 98.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.104 0.478 . . . . 0.0 109.807 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.16 -45.61 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.169 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.4 mtp -62.38 -44.92 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.838 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.52 -41.12 72.7 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.365 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 93.9 mt -69.01 -37.37 78.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.81 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 0.68 1.0 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.188 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -82.87 90.97 7.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.172 0.511 . . . . 0.0 109.911 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -135.71 -176.56 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.415 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 37.2 ttm180 -68.21 129.51 40.14 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.736 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.31 -14.59 54.72 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.78 132.98 46.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.545 ' HE2' ' OE1' ' A' ' 13' ' ' GLU . 86.3 mttt -123.98 117.52 24.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 -175.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.563 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.1 pp -123.14 164.9 17.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.956 -169.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 30.0 ttpt -122.03 128.06 50.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.47 172.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.616 ' HA ' HG12 ' A' ' 52' ' ' VAL . 66.3 t -68.59 118.41 12.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.098 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.84 -61.65 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.632 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -167.12 163.52 15.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.03 0.443 . . . . 0.0 110.397 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -106.59 146.92 30.09 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.41 165.39 14.47 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.5 Cg_endo -60.76 5.46 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.097 2.531 . . . . 0.0 114.299 -176.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -134.17 11.4 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.786 0.327 . . . . 0.0 110.692 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.45 -6.81 71.05 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.348 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.92 134.63 9.71 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -80.08 -173.35 12.49 Favored 'Cis proline' 0 C--O 1.237 0.43 0 C-N-CA 123.895 -1.294 . . . . 0.0 113.066 1.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.9 mt -121.49 135.84 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.193 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.51 124.63 50.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.6 m -134.38 149.53 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.69 101.69 11.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.563 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 42.3 t -105.18 109.35 21.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.93 -176.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 61.79 30.61 18.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.551 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -6.68 67.33 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.446 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -99.03 128.69 45.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 0.0 110.488 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.72 109.92 22.13 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -135.03 139.55 44.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 111.453 -176.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.3 m -110.78 129.13 55.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.148 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.14 176.82 8.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.53 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -84.01 151.88 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -57.67 -29.62 64.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.889 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -54.65 -44.04 72.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.562 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.6 mp0 -72.47 -40.9 66.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.779 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' A' ' 4' ' ' SER . . . -62.98 -31.51 72.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.45 -177.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 27.1 mm-40 -62.04 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.202 0.525 . . . . 0.0 110.381 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.58 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.52 -34.17 83.52 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.927 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HG13 ' A' ' 17' ' ' VAL . 57.7 mt -74.09 123.17 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.113 0.483 . . . . 0.0 111.026 -176.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -100.66 122.03 42.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.584 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.503 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 26.8 m -122.01 161.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -176.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -127.2 117.29 22.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.45 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.66 127.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.939 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 110.89 -178.416 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.441 ' HA ' ' OE1' ' A' ' 5' ' ' GLU . 26.8 ttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.944 0.402 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -91.79 157.61 16.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -171.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 6' ' ' LEU . 27.8 tp -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.61 0.719 . . . . 0.0 109.2 169.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 4.7 t -74.71 -12.52 60.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.072 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 51.6 tt0 -99.33 0.34 42.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.936 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 3' ' ' LEU . 71.7 mt -79.45 172.02 14.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 176.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -115.51 159.18 21.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.327 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 102.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 110.286 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.4 -12.31 7.97 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.724 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.92 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.098 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -130.24 127.93 40.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.632 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.68 165.76 30.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.692 0.282 . . . . 0.0 111.283 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 8.6 pt-20 -107.84 145.87 33.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.615 HG11 HG22 ' A' ' 17' ' ' VAL . 74.2 t -81.11 119.34 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.949 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.9 p -92.06 -30.98 15.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -154.58 136.67 14.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.766 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.615 HG22 HG11 ' A' ' 14' ' ' VAL . 20.6 t -111.11 108.72 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.506 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.28 117.73 34.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 110.158 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.91 172.49 13.91 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 4.2 tm-20 -61.18 140.79 94.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 2.1 Cg_endo -49.39 -40.14 44.3 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.886 2.39 . . . . 0.0 113.022 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.42 82.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.046 0.451 . . . . 0.0 110.797 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.647 HG11 ' HG3' ' A' ' 65' ' ' GLU . 84.8 t -69.47 -40.28 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.133 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.35 -47.16 82.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.993 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -58.03 -43.47 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -65.79 -38.45 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.964 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -69.77 -44.07 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.904 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.6 mtp -62.25 -32.99 73.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.836 175.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -89.05 15.88 7.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.875 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.83 12.41 83.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.052 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tt -87.95 87.92 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.329 0.585 . . . . 0.0 109.543 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.33 -173.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.324 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -70.15 118.11 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.018 0.437 . . . . 0.0 110.36 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.95 -4.06 52.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.903 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.59 119.76 16.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.155 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 38.7 mttp -98.86 122.45 42.11 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.9 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' H ' HD23 ' A' ' 38' ' ' LEU . 2.4 pt? -133.78 155.08 50.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.35 0.595 . . . . 0.0 111.388 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -114.27 127.47 55.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.891 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.66 110.72 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 53' ' ' ASN . 86.0 mt -79.92 -62.02 1.81 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.939 -174.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -154.67 150.04 27.22 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.064 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -101.26 148.39 25.17 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -63.56 161.28 36.46 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 23.4 Cg_endo -60.95 5.56 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.992 2.461 . . . . 0.0 113.918 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 44' ' ' ALA . 64.8 mt -131.69 12.14 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.759 0.314 . . . . 0.0 110.38 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.38 -14.07 52.29 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.405 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.63 138.11 12.46 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -81.01 -169.91 8.05 Favored 'Cis proline' 0 C--O 1.235 0.372 0 C-N-CA 124.016 -1.243 . . . . 0.0 112.896 -0.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.732 HD11 ' HG3' ' A' ' 63' ' ' ARG . 43.3 mt -121.28 138.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.293 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -105.75 114.04 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.066 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.435 ' HB ' HD12 ' A' ' 38' ' ' LEU . 21.8 m -120.76 144.26 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.167 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.437 ' HB2' HD11 ' A' ' 41' ' ' LEU . 39.7 t30 -101.84 100.86 11.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.524 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.03 119.44 38.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.88 27.98 16.9 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.045 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.29 16.22 59.35 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 mtm -123.46 132.4 53.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.87 102.14 13.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.201 0.524 . . . . 0.0 110.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.33 126.67 54.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.068 -177.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.4 m -101.41 121.24 41.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.684 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -139.39 169.88 16.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.574 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -75.29 147.01 40.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 110.955 -174.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.732 ' HG3' HD11 ' A' ' 50' ' ' ILE . 64.4 ttt180 -65.28 -30.59 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.715 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -60.01 -40.65 89.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.647 ' HG3' HG11 ' A' ' 23' ' ' VAL . 11.9 mm-40 -75.68 -31.09 59.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.389 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 4' ' ' SER . . . -61.73 -26.71 68.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.297 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -64.34 -44.71 90.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.616 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.11 -26.59 72.47 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.172 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.54 HG12 HG13 ' A' ' 17' ' ' VAL . 50.1 mt -74.84 115.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.187 0.517 . . . . 0.0 110.399 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -94.74 133.4 38.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.596 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.518 HG21 HD11 ' A' ' 6' ' ' LEU . 27.4 m -129.13 167.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.635 0.731 . . . . 0.0 112.214 -174.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -133.47 120.37 20.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.185 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' HE1' ' A' ' 1' ' ' MET . 61.3 mt -66.97 126.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 111.48 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.572 -179.167 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.666 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -92.87 157.48 16.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.097 0.475 . . . . 0.0 112.172 -176.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 6' ' ' LEU . 29.3 tp -66.28 -34.83 78.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.034 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 66' ' ' ALA . 55.4 m -74.89 -13.46 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.639 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.666 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 59.3 mt-10 -88.11 -3.93 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.091 0.472 . . . . 0.0 110.442 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 3' ' ' LEU . 76.4 mt -79.1 178.1 8.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.76 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -123.68 159.76 28.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.328 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.31 109.77 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.461 . . . . 0.0 110.147 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.3 -21.67 6.8 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.699 -175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -79.34 142.44 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 111.154 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.582 ' HB3' HD12 ' A' ' 74' ' ' LEU . 80.0 mtm180 -108.6 147.39 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.206 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -149.27 161.43 42.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.896 0.379 . . . . 0.0 111.565 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HB2' HD21 ' A' ' 74' ' ' LEU . 39.1 tt0 -113.03 125.31 54.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.95 121.95 20.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.729 0.299 . . . . 0.0 111.015 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 p -98.1 -36.52 10.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -158.84 137.14 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.877 HG23 HG12 ' A' ' 69' ' ' ILE . 6.1 p -117.08 135.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.532 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.569 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -133.85 114.5 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.143 0.496 . . . . 0.0 110.711 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB1' ' OE2' ' A' ' 65' ' ' GLU . . . -154.35 -178.75 7.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.58 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.46 143.87 95.79 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.43 -48.81 18.6 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.894 2.396 . . . . 0.0 112.673 -174.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.53 83.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.52 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.758 HG11 ' HG3' ' A' ' 65' ' ' GLU . 74.3 t -75.42 -39.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.152 0.501 . . . . 0.0 110.174 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.36 -48.29 82.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.11 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.79 -37.32 84.32 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.605 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.587 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 70.9 mtt85 -55.69 -43.34 76.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.354 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.45 -41.46 89.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.0 mtp -65.69 -37.66 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.25 -33.01 63.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 80.5 mt -66.97 -41.02 87.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.99 18.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.892 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -104.02 93.5 4.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.155 0.502 . . . . 0.0 109.951 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.56 -173.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.566 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -71.31 127.94 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.81 -0.77 67.63 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.862 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -76.03 127.76 33.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 110.386 176.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HB3' HD11 ' A' ' 74' ' ' LEU . 91.5 mttt -102.03 127.09 49.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.854 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.424 HD12 ' HB ' ' A' ' 52' ' ' VAL . 2.1 pt? -138.6 154.46 48.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -176.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -112.97 130.1 56.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.422 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.628 ' HA ' HG12 ' A' ' 52' ' ' VAL . 58.4 t -70.8 116.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 53' ' ' ASN . 85.8 mt -86.51 -65.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.29 -174.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -149.78 156.36 41.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 110.844 -175.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.88 147.75 28.37 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 172.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -67.6 165.35 30.94 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 16.7 Cg_endo -58.27 5.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.222 2.615 . . . . 0.0 114.182 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.4 mt -132.8 7.32 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.906 0.384 . . . . 0.0 110.373 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.45 2.85 69.53 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.72 127.69 3.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.76 -171.92 10.47 Favored 'Cis proline' 0 CA--C 1.534 0.493 0 C-N-CA 124.241 -1.149 . . . . 0.0 113.836 2.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -124.19 139.55 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.85 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -106.26 122.46 46.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.5 m -128.84 142.03 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.818 0.342 . . . . 0.0 111.068 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.571 ' HB2' HD11 ' A' ' 41' ' ' LEU . 54.3 t-20 -97.11 103.36 15.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.427 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 48.5 t -111.04 116.46 31.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.77 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 60.87 25.33 15.26 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.06 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.16 62.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.428 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 mtm -115.64 126.58 54.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.797 0.332 . . . . 0.0 110.215 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 58' ' ' LEU . 6.6 mp -84.06 113.49 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.884 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 30' ' ' LEU . 1.1 mt -112.8 135.38 53.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.558 -175.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.3 m -112.63 126.31 55.23 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.436 ' HE2' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -147.52 167.83 23.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.344 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -77.9 143.7 37.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -173.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 3.9 ttt85 -57.41 -36.75 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.406 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.598 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 2.0 p-10 -58.42 -32.65 68.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.758 ' HG3' HG11 ' A' ' 23' ' ' VAL . 4.3 mm-40 -76.07 -36.29 59.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.274 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 69' ' ' ILE . . . -62.99 -31.35 72.46 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 176.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.598 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 47.9 mt-10 -65.34 -35.58 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.089 0.471 . . . . 0.0 110.118 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.72 -20.28 73.99 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.786 173.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.877 HG12 HG23 ' A' ' 17' ' ' VAL . 70.7 mt -87.37 127.43 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.344 0.592 . . . . 0.0 111.459 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -103.63 124.17 48.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.573 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.483 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 30.2 m -127.79 159.3 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 0.0 111.506 -176.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -116.83 119.47 35.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.5 mt -60.24 136.83 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.594 -174.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 11' ' ' ARG . 86.6 mt . . . . . 0 C--O 1.234 0.281 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.032 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.711 0.291 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.697 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 2.4 mppt? -94.27 159.75 14.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.886 0.374 . . . . 0.0 111.473 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 6' ' ' LEU . 54.9 tp -65.43 -30.86 71.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.836 174.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.2 p -76.57 -11.14 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.116 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.697 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -90.2 -10.47 44.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.158 0.504 . . . . 0.0 109.838 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 3' ' ' LEU . 74.6 mt -75.77 172.01 13.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.908 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -122.76 169.87 10.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.96 111.82 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.073 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.18 -14.3 33.62 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.373 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HA ' HH21 ' A' ' 11' ' ' ARG . 2.3 m-20 -74.57 132.4 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.142 0.496 . . . . 0.0 111.086 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.79 138.19 40.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.586 -178.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.88 162.88 40.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.096 0.474 . . . . 0.0 111.795 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.727 ' HB2' HD21 ' A' ' 74' ' ' LEU . 41.2 tt0 -111.45 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.256 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.707 ' HA ' HG12 ' A' ' 71' ' ' VAL . 66.5 t -76.41 113.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.288 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.478 HG23 ' CE1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -90.07 -26.45 20.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.172 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -165.77 154.03 11.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG13 HG12 ' A' ' 69' ' ' ILE . 50.0 t -126.86 109.97 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.018 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.502 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.42 102.52 14.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 177.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.48 174.54 14.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.386 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.0 tm-20 -57.65 141.99 78.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.962 0.788 . . . . 0.0 108.986 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.594 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 3.2 Cg_exo -44.35 -51.12 7.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.302 2.668 . . . . 0.0 113.169 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' OE1' ' A' ' 20' ' ' GLU . . . -69.9 -44.13 70.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.453 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 79.1 t -63.89 -42.67 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.201 0.524 . . . . 0.0 110.236 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -61.17 -52.13 66.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.889 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -72.1 -25.88 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 40.4 ttt-85 -64.67 -46.52 82.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 92.3 mt -62.6 -41.65 99.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.63 ' HB3' HG12 ' A' ' 33' ' ' VAL . 47.4 mtm -63.0 -37.96 89.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.23 -33.45 76.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.757 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 95.2 mt -71.86 -33.65 68.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.439 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.18 -3.31 1.45 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.812 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' A' ' 28' ' ' MET . 3.2 tt -94.56 83.84 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 0.0 109.967 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG12 ' HB3' ' A' ' 28' ' ' MET . 33.2 m -109.65 178.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.263 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -72.44 115.19 11.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 0.58 37.12 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.886 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.86 146.0 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.3 . . . . 0.0 110.726 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -114.83 127.7 55.87 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -142.54 169.71 17.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.662 0.744 . . . . 0.0 112.799 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 11' ' ' ARG . 35.9 ttpt -130.84 132.42 45.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.236 172.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.1 t -69.61 119.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.5 mt -81.16 -64.43 1.19 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.531 -177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -151.33 152.31 32.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.457 0.646 . . . . 0.0 111.117 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -107.21 131.13 54.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 168.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -57.33 159.08 9.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 123.169 0.293 . . . . 0.0 110.23 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.477 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 25.0 Cg_endo -60.94 6.55 0.12 Allowed 'Trans proline' 0 N--CA 1.479 0.627 0 C-N-CA 123.374 2.716 . . . . 0.0 113.83 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 44' ' ' ALA . 80.0 mt -132.28 13.65 4.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.909 0.385 . . . . 0.0 110.102 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.61 14.29 72.25 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.463 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -174.63 132.83 0.5 Allowed Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.86 -175.43 16.38 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.567 -1.43 . . . . 0.0 113.144 1.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.7 mt -120.69 135.12 61.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -111.12 124.78 52.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.43 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 40' ' ' VAL . 28.7 m -132.2 146.51 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.745 0.307 . . . . 0.0 111.039 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -97.87 104.33 16.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 49.1 t -108.82 110.49 21.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.944 -175.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.89 28.94 16.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.81 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.91 -4.56 65.72 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.926 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -106.41 123.29 47.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.833 0.349 . . . . 0.0 110.065 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.21 107.87 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mt -105.74 150.91 25.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.65 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.7 m -133.87 120.41 20.39 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.626 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.51 178.85 6.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.933 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -89.18 158.92 17.72 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.087 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -52.88 -40.67 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.531 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 3.5 p-10 -64.33 -30.61 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 -177.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 69' ' ' ILE . 65.0 mm-40 -71.28 -39.49 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.413 . . . . 0.0 109.996 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.17 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.929 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 49.7 mt-10 -65.56 -38.12 88.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 174.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.6 -36.28 87.73 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.556 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.699 HG12 HG13 ' A' ' 17' ' ' VAL . 52.8 mt -74.71 120.37 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.164 0.507 . . . . 0.0 111.215 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -100.93 128.9 46.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.455 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 14' ' ' VAL . 33.2 m -136.17 160.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 0.0 111.229 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.478 ' CE1' HG23 ' A' ' 15' ' ' THR . 22.9 p-80 -120.51 130.93 54.47 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 171.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.64 133.2 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 111.696 -174.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 13' ' ' GLU . 93.6 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.648 ' HE1' HD11 ' A' ' 73' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.742 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 4.4 mptp? -76.41 151.03 36.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.052 0.454 . . . . 0.0 111.597 -173.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 6' ' ' LEU . 16.9 tp -65.67 -30.16 70.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.417 173.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.1 t -69.3 -22.69 63.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.979 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.742 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 53.4 mt-10 -89.77 -2.91 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.383 . . . . 0.0 111.169 -177.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 71' ' ' VAL . 34.0 mt -76.33 165.83 24.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 34.8 mtmt -119.05 161.12 20.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.802 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.34 118.02 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 0.0 110.64 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.11 -12.21 52.19 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.431 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.512 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 1.1 m-20 -79.97 141.6 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HG2' HD12 ' A' ' 74' ' ' LEU . 51.9 ttt180 -124.55 131.09 53.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.32 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -141.87 176.48 8.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.0 tt0 -121.37 133.66 55.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.765 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 HD22 ' A' ' 38' ' ' LEU . 58.0 t -72.27 112.14 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -89.73 -37.64 14.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 m -154.65 116.87 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.17 0.51 . . . . 0.0 110.773 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.889 HG23 HG12 ' A' ' 69' ' ' ILE . 2.4 p -97.22 109.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.28 0.562 . . . . 0.0 110.28 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.63 172.3 17.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.466 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 149.03 98.7 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.434 0.459 . . . . 0.0 109.948 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -46.5 -43.29 22.55 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.825 3.016 . . . . 0.0 113.853 -172.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.43 -49.08 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.146 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.79 -39.49 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 110.597 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' MET . 24.0 ttm180 -57.5 -51.89 67.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.785 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.719 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 99.4 mtt180 -69.77 -35.54 75.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.153 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -41.67 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 89.6 mtp -57.95 -42.44 84.97 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.67 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.09 -31.73 70.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.835 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.84 6.22 25.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.809 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.87 -2.92 55.69 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.067 175.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 28' ' ' MET . 4.9 tt -88.32 85.82 6.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.436 0.636 . . . . 0.0 109.449 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.407 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 26.8 m -121.1 -177.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.119 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -72.08 120.36 17.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.98 0.39 56.17 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.887 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -76.47 126.34 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.774 0.321 . . . . 0.0 111.206 178.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -93.12 128.32 39.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.856 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.473 HD22 HG23 ' A' ' 14' ' ' VAL . 2.3 pt? -139.3 147.63 41.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.437 . . . . 0.0 111.044 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -115.6 132.01 56.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.406 174.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.733 ' HA ' HG12 ' A' ' 52' ' ' VAL . 62.1 t -70.73 119.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 53' ' ' ASN . 97.6 mt -89.52 -64.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.291 -175.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -151.71 160.46 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.145 -173.106 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -117.16 154.49 30.99 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.57 163.17 69.13 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 172.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.32 5.66 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.99 2.46 . . . . 0.0 113.517 -176.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.0 mt -132.8 14.07 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.781 0.324 . . . . 0.0 110.591 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.11 2.09 81.86 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.626 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -161.62 135.8 5.09 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.51 179.21 29.64 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.548 -1.438 . . . . 0.0 113.312 1.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 54.9 mt -115.3 139.03 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.48 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.4 126.77 55.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.781 0.324 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.733 HG12 ' HA ' ' A' ' 40' ' ' VAL . 29.7 m -132.44 156.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -177.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' HB2' HD11 ' A' ' 41' ' ' LEU . 30.9 t30 -106.22 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 175.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.511 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 51.0 t -113.67 123.89 50.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.41 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 62.65 20.34 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.112 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.75 16.01 60.57 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.716 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 59' ' ' LEU . 33.0 ttm -117.1 129.46 56.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.42 102.43 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.082 0.468 . . . . 0.0 109.962 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -119.82 149.5 41.96 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.038 -174.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.4 m -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.25 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.5 ptm -138.78 171.47 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -177.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 9.3 mmt180 -95.49 149.84 20.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -172.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 23.0 ttt180 -61.83 -41.9 98.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.436 177.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -60.44 -31.46 70.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.389 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.53 ' O ' HG13 ' A' ' 69' ' ' ILE . 56.0 mm-40 -75.34 -38.39 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 109.693 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.86 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.526 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 23.3 mm-40 -62.5 -47.32 84.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 109.635 173.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.49 -31.26 78.24 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.541 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.889 HG12 HG23 ' A' ' 17' ' ' VAL . 63.4 mt -75.91 119.68 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.297 0.57 . . . . 0.0 111.224 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -103.97 125.58 50.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.713 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 6' ' ' LEU . 29.9 m -116.81 157.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.266 -175.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -118.49 123.94 46.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.868 175.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.648 HD11 ' HE1' ' A' ' 1' ' ' MET . 27.0 mm -64.12 130.9 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.118 0.485 . . . . 0.0 112.12 -173.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 13' ' ' GLU . 94.9 mt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.08 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.909 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.3 mptt -76.15 152.91 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.976 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 6' ' ' LEU . 37.6 tp -65.39 -29.62 70.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.398 173.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 15.1 p -78.31 -8.1 58.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.629 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.909 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 43.8 mt-10 -92.31 -8.75 44.24 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 3' ' ' LEU . 75.8 mt -69.06 163.75 24.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.26 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HG3' ' OD2' ' A' ' 10' ' ' ASP . 2.5 pptp? -130.55 32.96 4.34 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -170.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.482 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 68.67 135.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.467 0.651 . . . . 0.0 112.129 175.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 7.22 84.38 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.455 ' OD2' ' HG3' ' A' ' 7' ' ' LYS . 66.1 m-20 -102.23 132.58 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.073 -0.563 . . . . 0.0 110.355 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 11' ' ' ARG . 65.3 mtt-85 -107.6 121.42 44.62 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.06 166.24 23.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.885 -174.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.12 132.38 56.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.644 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.606 ' HA ' HG12 ' A' ' 71' ' ' VAL . 91.6 t -74.68 116.46 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -35.22 14.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 p -160.94 142.15 11.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.769 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.643 HG13 HG12 ' A' ' 69' ' ' ILE . 45.6 t -114.16 109.48 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.415 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.49 103.6 15.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.015 0.436 . . . . 0.0 110.35 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.86 179.7 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.256 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.57 144.38 89.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.63 -45.13 43.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.867 2.378 . . . . 0.0 112.477 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.77 92.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.52 -43.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 24' ' ' ARG . 37.1 ttm180 -56.5 -50.01 73.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.423 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -66.61 -35.83 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.476 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 16.7 ttt180 -59.74 -42.64 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.484 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 94.0 mt -66.65 -38.63 87.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.297 177.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.453 ' HG2' HG12 ' A' ' 33' ' ' VAL . 89.2 mtp -63.99 -40.01 95.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -33.29 75.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.317 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 95.3 mt -71.94 -42.52 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.869 0.366 . . . . 0.0 110.495 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 5.33 0.62 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.3 tt -97.75 96.0 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 28' ' ' MET . 35.7 m -128.97 172.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.236 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -67.98 118.1 10.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.16 -3.75 48.02 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.753 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.5 135.32 39.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.275 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -105.72 126.25 51.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 38' ' ' LEU . 2.3 pt? -133.65 157.99 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.146 0.498 . . . . 0.0 111.889 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -116.75 119.74 36.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.098 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 52' ' ' VAL . 77.9 t -70.62 117.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -90.84 -61.53 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -148.34 159.68 43.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.85 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -118.86 140.14 50.46 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 171.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -65.58 158.26 74.74 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.0 Cg_endo -59.95 6.69 0.1 OUTLIER 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 123.635 2.89 . . . . 0.0 113.946 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' A' ' 44' ' ' ALA . 91.1 mt -131.75 13.16 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.87 8.99 78.94 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.213 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.91 133.3 1.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.58 -175.48 16.56 Favored 'Cis proline' 0 C--O 1.237 0.441 0 C-N-CA 123.436 -1.485 . . . . 0.0 113.13 0.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.84 134.43 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.31 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -98.48 114.47 26.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.858 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.7 m -130.13 136.73 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 0.0 111.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -88.85 101.41 14.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.3 t -108.98 112.32 24.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.645 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 62.59 29.66 16.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.885 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.35 -19.63 53.96 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 113.252 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.36 132.73 42.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.001 0.4 . . . . 0.0 111.201 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.25 105.46 6.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mt -106.46 131.62 53.43 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -108.99 119.81 40.68 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.44 169.44 17.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.116 179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 62' ' ' ARG . 4.9 mmm180 -88.66 156.81 18.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.62 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 48.2 ttt-85 -54.59 -37.22 65.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.181 177.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.538 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 1.8 m-20 -54.49 -43.68 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.422 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.5 mt-10 -73.25 -39.24 65.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.268 -176.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 4' ' ' SER . . . -66.2 -26.17 67.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.357 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' OE2' ' HA ' ' A' ' 64' ' ' ASN . 41.6 mt-10 -62.77 -45.66 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.461 . . . . 0.0 110.491 173.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.52 -35.57 90.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.01 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.643 HG12 HG13 ' A' ' 17' ' ' VAL . 38.5 mt -74.59 123.56 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 111.21 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -103.77 128.28 51.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.448 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.606 HG12 ' HA ' ' A' ' 14' ' ' VAL . 28.9 m -133.04 166.12 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -129.03 134.17 48.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.23 129.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.016 179.848 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.866 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 1.2 mptm? -86.25 153.21 22.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.859 0.361 . . . . 0.0 110.372 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.615 HD23 HD12 ' A' ' 69' ' ' ILE . 17.4 tp -65.53 -31.85 73.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.98 173.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 p -80.67 -0.96 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.909 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.866 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -89.46 -24.52 21.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.132 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.474 HD21 HG12 ' A' ' 73' ' ' ILE . 93.2 mt -62.4 148.7 44.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.601 178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.613 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 18.6 ptpt -121.9 44.03 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -170.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 42' ' ' ARG . . . 68.14 124.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.709 0.766 . . . . 0.0 112.735 174.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.43 -14.37 65.13 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.434 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 6' ' ' LEU . 35.6 m-20 -79.71 148.14 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -115.31 128.42 56.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.17 164.71 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.007 0.432 . . . . 0.0 111.077 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -121.0 127.99 52.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.988 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.412 ' HA ' HG12 ' A' ' 71' ' ' VAL . 56.4 t -71.14 125.79 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.853 -177.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -100.75 -34.02 10.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.094 0.473 . . . . 0.0 110.565 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -158.91 147.97 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.799 HG23 HG12 ' A' ' 69' ' ' ILE . 3.3 p -126.96 111.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.373 0.606 . . . . 0.0 110.562 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.24 112.91 26.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.038 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.26 171.66 16.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.725 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -62.3 148.37 89.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.5 -52.08 6.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 123.609 2.873 . . . . 0.0 113.425 -176.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.84 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.208 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.77 -45.26 77.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.288 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -61.74 -43.22 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.081 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -58.58 -44.51 89.83 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.659 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.488 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.3 mtt180 -58.36 -47.96 82.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.704 0.288 . . . . 0.0 110.826 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 69' ' ' ILE . 85.1 mt -61.04 -46.82 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.157 0.503 . . . . 0.0 110.708 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 89.8 mtp -67.87 -35.8 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.176 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.34 -32.09 69.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.568 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.3 mt -70.42 -40.02 74.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 176.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.54 19.32 0.18 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.995 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -105.25 98.91 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.015 0.436 . . . . 0.0 110.065 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.33 -179.63 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.004 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -67.97 127.52 33.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.85 -4.84 68.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.862 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.52 127.68 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -94.82 129.29 41.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -136.07 145.62 46.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.103 0.478 . . . . 0.0 111.31 -177.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -110.38 124.97 52.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.729 175.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.485 ' HA ' HG12 ' A' ' 52' ' ' VAL . 59.1 t -71.93 126.86 33.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.74 -63.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HG2' ' H ' ' A' ' 43' ' ' PHE . 24.6 ttp180 -170.46 167.65 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.971 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 82.6 m-85 -94.25 164.15 13.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.991 172.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.02 166.41 43.62 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 165.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.33 1.72 0.24 Allowed 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.116 2.544 . . . . 0.0 114.415 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.2 mt -132.6 7.5 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.92 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.71 -3.12 84.35 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.915 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.71 132.95 8.76 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.14 -171.2 9.54 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.782 -1.341 . . . . 0.0 112.782 -1.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.3 mt -124.03 136.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.867 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -104.04 129.08 51.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.624 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 40' ' ' VAL . 28.4 m -137.76 153.82 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.446 . . . . 0.0 111.427 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -109.38 100.97 9.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.66 115.03 29.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.209 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.664 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 7.7 t-20 59.35 27.46 16.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.472 174.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.45 -5.88 62.87 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.442 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.664 ' HE1' ' HB3' ' A' ' 55' ' ' ASN . 4.2 mpp? -101.22 126.89 47.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.114 0.457 . . . . 0.0 110.073 175.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.5 110.43 22.5 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -132.46 135.69 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -175.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.6 m -91.18 123.1 34.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.464 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.3 ptm -126.42 164.03 22.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.104 0.478 . . . . 0.0 111.148 -174.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 8.5 mmm180 -86.38 150.04 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.485 -173.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -58.97 -39.23 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.336 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -61.15 -30.49 70.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.841 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' O ' HG13 ' A' ' 69' ' ' ILE . 45.5 mt-10 -74.86 -43.78 52.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.04 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.09 70.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.982 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -60.13 -44.3 95.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.193 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.83 -20.25 72.22 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.078 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.799 HG12 HG23 ' A' ' 17' ' ' VAL . 62.6 mt -87.59 125.07 41.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.207 0.527 . . . . 0.0 111.104 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -102.49 123.12 45.68 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.88 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 14' ' ' VAL . 31.5 m -127.7 167.96 21.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.556 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 171.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.474 HG12 HD21 ' A' ' 6' ' ' LEU . 56.8 mt -66.73 130.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 0.0 111.333 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 121.432 0.634 . . . . 0.0 109.794 177.744 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 ptm . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.569 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 13.7 mptt -85.9 151.05 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.702 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 6' ' ' LEU . 29.7 tp -65.06 -31.49 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -76.4 -15.34 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.237 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.569 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 17.8 mm-40 -95.21 1.83 54.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.121 -176.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.624 HD11 HG21 ' A' ' 71' ' ' VAL . 25.0 mt -77.22 -177.11 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.6 . . . . 0.0 111.668 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 73.6 mmtt -120.11 149.76 41.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.637 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . -66.71 105.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.39 6.86 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.84 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.424 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 179.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 11' ' ' ARG . 16.7 ttm180 -113.22 128.62 56.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.54 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.28 174.03 11.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -124.78 133.31 53.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.33 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.553 HG23 HD22 ' A' ' 38' ' ' LEU . 89.6 t -69.84 122.7 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 p -96.6 -41.44 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 148.68 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.285 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.679 HG13 HG12 ' A' ' 69' ' ' ILE . 52.6 t -124.15 117.95 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.437 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.45 101.14 10.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.478 176.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.76 -176.94 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.473 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -65.3 144.1 98.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.68 -42.19 70.72 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.811 2.341 . . . . 0.0 112.344 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.55 83.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.151 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.85 -35.67 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.523 -175.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 28' ' ' MET . 43.8 ttp180 -63.22 -49.16 75.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.932 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 28' ' ' MET . 32.1 mtm105 -64.38 -31.9 73.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.151 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -43.24 89.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.83 -39.34 56.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.445 ' HG2' HG12 ' A' ' 33' ' ' VAL . 88.1 mtp -61.96 -37.78 86.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -34.86 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.751 175.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.733 HD13 HD22 ' A' ' 59' ' ' LEU . 97.1 mt -71.98 -41.16 68.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.032 177.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.33 -0.66 1.12 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.655 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -82.26 92.78 6.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.14 0.495 . . . . 0.0 110.128 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 28.8 m -133.47 -175.98 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.092 178.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -68.9 116.59 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 175.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.05 -1.05 38.24 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.843 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.26 123.69 25.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.52 0.2 . . . . 0.0 110.606 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HG2' HD11 ' A' ' 74' ' ' LEU . 57.2 mttp -91.02 126.53 36.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.807 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD22 HG23 ' A' ' 14' ' ' VAL . 2.4 pt? -140.99 149.38 41.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.999 0.428 . . . . 0.0 110.735 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 36.8 ttpt -118.23 135.56 54.19 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 52' ' ' VAL . 70.6 t -70.2 118.35 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 53' ' ' ASN . 87.5 mt -90.58 -56.68 3.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.18 143.12 27.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.983 -173.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.75 133.61 53.19 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 165.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -62.99 161.74 27.98 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 22.2 Cg_endo -61.24 5.88 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.715 0 C-N-CA 123.153 2.569 . . . . 0.0 114.168 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.7 mt -132.5 10.06 4.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.181 0.515 . . . . 0.0 109.812 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.98 20.69 79.04 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -170.1 127.67 0.78 Allowed Pre-proline 0 C--N 1.326 -0.415 0 C-N-CA 122.904 0.481 . . . . 0.0 109.71 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.66 -175.93 17.67 Favored 'Cis proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.984 1.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -122.26 137.11 56.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.429 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.2 121.05 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.123 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 40' ' ' VAL . 31.4 m -133.33 150.05 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.015 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 49.7 t-20 -101.82 105.36 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -107.92 108.53 19.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.068 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.47 28.48 13.78 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.078 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.56 -4.2 63.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.546 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -104.53 117.72 34.83 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -82.91 105.33 13.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.733 HD22 HD13 ' A' ' 30' ' ' LEU . 9.8 mt -101.3 144.41 30.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.016 -172.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m -128.61 120.55 26.84 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.019 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 -179.5 6.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -91.45 161.45 14.98 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 39.7 ttt85 -58.92 -36.98 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.28 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.37 -32.49 70.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.08 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 mp0 -69.67 -46.49 65.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.043 0.449 . . . . 0.0 109.986 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.56 78.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.282 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 44.0 mt-10 -63.38 -36.33 83.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.161 0.505 . . . . 0.0 110.366 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.05 -25.18 73.34 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.669 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.679 HG12 HG13 ' A' ' 17' ' ' VAL . 61.4 mt -86.3 132.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.593 . . . . 0.0 111.722 -173.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 m -105.28 130.65 53.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.537 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.624 HG21 HD11 ' A' ' 6' ' ' LEU . 33.3 m -129.35 158.69 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -121.89 121.67 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.983 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.99 134.16 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.324 0.583 . . . . 0.0 111.817 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD11 ' HG2' ' A' ' 37' ' ' LYS . 48.9 mt . . . . . 0 CA--C 1.516 -0.355 0 CA-C-O 121.81 0.814 . . . . 0.0 110.549 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttp . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -86.77 153.8 21.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 69' ' ' ILE . 18.4 tp -65.74 -33.52 76.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.68 172.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -75.33 -8.43 56.65 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.601 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -97.07 1.66 50.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.546 HD11 HG21 ' A' ' 71' ' ' VAL . 50.3 mt -79.6 178.34 8.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.223 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.8 156.07 48.67 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 116.99 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.241 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.56 -32.08 4.4 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.25 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.71 151.68 37.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.322 0.582 . . . . 0.0 112.496 -172.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 11' ' ' ARG . 19.4 mtp180 -114.54 141.61 47.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.866 176.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.78 165.84 27.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.23 0.538 . . . . 0.0 111.556 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.734 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.4 tt0 -113.67 131.9 55.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.158 176.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.47 119.05 21.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.867 0.365 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -95.78 -34.0 12.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 p -162.44 147.38 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.778 HG13 HG12 ' A' ' 69' ' ' ILE . 60.1 t -120.58 119.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.413 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.593 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.06 104.72 14.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.965 0.412 . . . . 0.0 110.066 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.04 172.28 17.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.559 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 11.6 tm-20 -58.28 141.87 82.0 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 6.6 Cg_endo -51.27 -43.02 51.54 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.087 2.525 . . . . 0.0 113.443 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.3 -44.59 68.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.752 0.31 . . . . 0.0 110.655 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 74.0 t -66.94 -40.34 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.18 0.514 . . . . 0.0 109.997 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.89 -39.95 91.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.945 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.25 -41.22 99.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.401 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 76.0 mtp180 -70.9 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.7 mt -60.72 -46.04 91.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 109.895 176.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 42.7 mtm -70.49 -27.45 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.751 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.21 -47.9 69.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.981 175.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.92 14.99 0.21 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.129 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.81 89.26 4.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.3 m -125.68 -176.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.218 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -67.81 114.7 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.96 -1.8 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.387 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.96 136.35 41.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.866 0.365 . . . . 0.0 110.425 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.61 128.65 54.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.9 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.84 160.47 38.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.143 0.496 . . . . 0.0 111.684 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HG3' ' HG2' ' A' ' 11' ' ' ARG . 57.5 tttp -122.11 124.2 43.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.483 175.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.7 ' HA ' HG12 ' A' ' 52' ' ' VAL . 57.7 t -71.53 117.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.715 HD11 HD22 ' A' ' 58' ' ' LEU . 68.1 mt -83.33 -62.65 1.53 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.929 0.395 . . . . 0.0 110.373 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -161.82 152.43 17.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.009 -175.467 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -105.08 155.43 19.0 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -73.32 165.38 53.4 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.45 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 72.8 Cg_exo -49.31 -33.34 28.45 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.72 2.28 . . . . 0.0 113.02 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.18 1.0 54.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.279 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.4 0.06 86.78 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.838 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -151.43 132.18 7.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -78.6 -170.81 9.1 Favored 'Cis proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.565 -1.431 . . . . 0.0 113.493 1.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.4 mt -126.55 139.65 51.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.331 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -108.44 121.36 44.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.681 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.7 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.4 m -135.79 146.6 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.128 0.489 . . . . 0.0 111.246 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.76 100.22 12.75 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 42.9 t -110.85 118.67 36.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.952 0.406 . . . . 0.0 111.063 -173.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.56 27.88 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.39 -3.5 63.75 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.5 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 71.7 mtm -121.01 138.64 54.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.115 0.458 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.715 HD22 HD11 ' A' ' 41' ' ' LEU . 68.6 mt -75.91 107.39 8.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.854 178.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 54' ' ' CYS . 8.0 mt -111.12 137.52 48.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.904 0.383 . . . . 0.0 110.393 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.76 130.76 45.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.885 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 21.1 ptm -143.22 166.86 23.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.102 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 62' ' ' ARG . 7.1 mmm180 -96.21 163.14 13.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 29.4 ttt180 -61.72 -34.28 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.025 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.84 -49.9 61.95 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.8 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.628 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.2 mp0 -64.25 -43.39 95.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.83 -28.46 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.931 -175.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 36.7 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 109.909 174.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.593 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.49 -36.9 84.77 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.726 -0.67 . . . . 0.0 113.127 175.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.778 HG12 HG13 ' A' ' 17' ' ' VAL . 61.5 mt -74.41 132.5 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.395 0.617 . . . . 0.0 111.443 -174.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -109.73 128.29 55.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.821 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.546 HG21 HD11 ' A' ' 6' ' ' LEU . 29.3 m -132.63 160.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.196 0.522 . . . . 0.0 111.393 -175.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -123.46 129.62 51.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.21 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.51 129.17 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.985 0.422 . . . . 0.0 111.211 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 13' ' ' GLU . 95.0 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.138 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 12.8 tpt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.9 mptt -84.78 145.63 27.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.689 HD12 HD12 ' A' ' 6' ' ' LEU . 35.0 tp -65.47 -32.42 74.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.336 0.589 . . . . 0.0 109.765 175.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -74.55 -14.77 60.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.78 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.521 ' CG ' ' HB2' ' A' ' 2' ' ' LYS . 24.2 mm-40 -88.29 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD12 HD12 ' A' ' 3' ' ' LEU . 55.4 mt -76.56 174.22 10.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 177.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.91 159.79 39.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.757 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.32 -27.03 5.91 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.591 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.72 149.97 41.5 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.261 0.553 . . . . 0.0 111.523 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -122.48 136.9 55.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.37 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.27 163.03 33.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.583 0.23 . . . . 0.0 111.058 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -110.32 126.6 54.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.659 ' HA ' HG12 ' A' ' 71' ' ' VAL . 60.8 t -71.0 120.32 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.696 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.5 p -99.76 -27.54 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -162.95 152.2 15.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.321 . . . . 0.0 110.731 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.734 HG13 HG12 ' A' ' 69' ' ' ILE . 52.8 t -126.77 132.64 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -132.02 106.85 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.415 0.626 . . . . 0.0 110.786 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -161.16 175.03 12.8 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 143.96 72.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.51 -42.08 68.48 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.124 2.55 . . . . 0.0 112.84 -173.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.46 86.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.082 0.468 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.9 -46.03 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.125 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -63.22 -34.39 77.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.508 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.0 -42.11 98.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.21 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 67.5 mtt180 -65.54 -38.48 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.886 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.24 -48.23 74.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.7 mtp -64.07 -37.3 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.74 -45.75 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.529 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 97.6 mt -64.6 -39.94 94.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.531 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.54 0.82 0.94 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.54 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.16 96.51 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.251 0.548 . . . . 0.0 110.016 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.91 176.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.375 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -62.38 123.53 18.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.746 0.307 . . . . 0.0 110.239 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.29 -13.01 48.25 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.963 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.76 126.12 29.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -105.37 128.86 53.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.341 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 3' ' ' LEU . 2.3 pt? -135.48 153.11 51.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.006 0.431 . . . . 0.0 111.673 -172.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -106.43 125.23 50.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.748 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HA ' HG12 ' A' ' 52' ' ' VAL . 47.6 t -72.3 121.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.02 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.81 157.36 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.166 0.507 . . . . 0.0 111.191 -172.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.53 141.86 51.59 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.088 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.633 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -66.97 163.45 44.16 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 30.2 Cg_endo -62.85 1.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.756 2.304 . . . . 0.0 113.837 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -133.28 17.21 4.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.684 0.278 . . . . 0.0 110.974 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.22 19.31 79.6 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.653 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -168.77 124.56 0.78 Allowed Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.74 176.44 39.91 Favored 'Cis proline' 0 C--O 1.236 0.413 0 C-N-CA 123.297 -1.543 . . . . 0.0 113.465 2.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.45 135.92 51.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.65 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -110.19 119.42 39.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.149 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 40' ' ' VAL . 29.6 m -131.86 149.02 32.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.079 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -96.95 103.2 15.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.7 t -105.97 101.92 11.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.734 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 61.22 30.09 19.06 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.21 -3.18 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.599 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -108.42 117.27 33.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.73 111.54 12.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.803 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.428 HD22 HD13 ' A' ' 30' ' ' LEU . 8.2 mt -108.5 129.03 55.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.295 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.2 m -114.59 120.66 40.94 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -148.55 178.58 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.729 0.299 . . . . 0.0 111.282 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -92.69 161.72 14.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.505 -171.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.36 -38.57 87.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.704 -174.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -58.52 -36.29 73.6 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.93 0.395 . . . . 0.0 110.737 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.6 mt-10 -67.9 -43.92 78.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.049 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.44 -26.49 60.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.557 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.77 -45.03 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.013 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.82 -21.87 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.121 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HG13 ' A' ' 17' ' ' VAL . 72.5 mt -85.42 123.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.474 . . . . 0.0 111.31 -177.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -96.43 126.02 41.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.974 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' A' ' 14' ' ' VAL . 35.2 m -130.8 169.83 20.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -128.62 128.18 43.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.42 HD11 ' HE2' ' A' ' 1' ' ' MET . 42.6 mt -70.13 133.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.104 0.478 . . . . 0.0 111.217 -176.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.556 177.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HE1' HD11 ' A' ' 73' ' ' ILE . 28.1 ttt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.034 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 1.4 mptm? -77.59 152.73 33.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.178 0.513 . . . . 0.0 111.558 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 6' ' ' LEU . 28.3 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.161 169.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -74.81 -13.72 60.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.107 -0.952 . . . . 0.0 111.199 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 1.034 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 50.4 mt-10 -89.48 3.71 51.5 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.964 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 3' ' ' LEU . 63.0 mt -79.71 177.91 8.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.269 0.557 . . . . 0.0 111.656 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 29.5 mttp -115.29 162.68 16.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.965 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.8 104.46 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.88 1.78 28.66 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.099 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.466 ' HB2' ' H ' ' A' ' 7' ' ' LYS . 1.2 t0 -74.94 163.68 27.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 110.69 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.75 120.36 26.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.537 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -140.09 160.26 40.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.117 0.484 . . . . 0.0 111.615 -177.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.5 tt0 -119.17 128.23 54.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.841 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.13 126.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.003 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.3 p -102.23 -36.64 8.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 t -160.66 147.55 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.494 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.66 HG13 HG12 ' A' ' 69' ' ' ILE . 59.4 t -122.89 116.2 48.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.84 99.1 8.75 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.64 -175.73 5.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.161 -174.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.568 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 2.6 mm-40 -52.9 142.03 35.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 173.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 10.2 Cg_endo -58.87 -37.01 95.95 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.375 2.05 . . . . 0.0 111.586 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.6 62.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.153 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.27 -46.67 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 28' ' ' MET . 53.1 ttp180 -59.49 -42.14 91.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.947 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -59.91 -50.33 74.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.881 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 78.1 ttt180 -56.84 -45.79 82.14 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 91.0 mt -65.29 -40.84 94.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 50.2 mtm -74.72 -31.03 61.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.807 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -64.37 -31.45 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.0 mt -72.05 -46.62 56.3 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.02 -1.89 0.7 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.385 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' ' HG2' ' A' ' 28' ' ' MET . 6.2 tt -83.12 84.51 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.489 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 33.9 m -121.82 -174.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.928 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -67.62 115.97 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.62 -1.93 36.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.25 -175.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.14 126.74 31.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.595 0.236 . . . . 0.0 110.674 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -97.27 128.21 43.92 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 38' ' ' LEU . 2.1 pt? -139.7 148.25 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.174 0.511 . . . . 0.0 111.62 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -110.29 126.08 53.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.165 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' HA ' HG12 ' A' ' 52' ' ' VAL . 75.1 t -70.05 104.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -71.66 -61.57 1.73 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.89 0.376 . . . . 0.0 110.356 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 42' ' ' ARG . 11.3 mtt180 -160.02 153.04 21.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.047 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' HD2' HG12 ' A' ' 50' ' ' ILE . 34.1 m-85 -92.45 153.97 18.79 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 165.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -58.13 155.15 26.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.41 8.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.48 0.7 0 C-N-CA 123.897 3.065 . . . . 0.0 114.381 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 44' ' ' ALA . 89.2 mt -131.34 -36.85 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.77 -25.16 0.83 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.854 177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -151.3 142.36 15.25 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -85.01 -167.52 5.14 Favored 'Cis proline' 0 C--O 1.234 0.313 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.216 1.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.483 HG12 ' HD2' ' A' ' 43' ' ' PHE . 48.8 mt -116.79 136.04 55.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -103.72 118.11 35.94 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 40' ' ' VAL . 18.5 m -122.65 136.97 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.08 0.467 . . . . 0.0 111.031 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.68 100.27 12.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -107.44 116.08 31.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.97 35.69 22.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.197 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.46 49.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.791 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.3 mtm -97.39 131.48 44.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.854 0.359 . . . . 0.0 110.728 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.73 105.95 13.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.068 0.461 . . . . 0.0 109.91 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.29 126.92 51.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.626 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 m -107.88 120.79 43.28 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.42 171.14 14.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.227 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 5.4 mmt180 -86.59 151.25 23.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.103 -173.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.67 -38.3 77.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.533 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -65.35 -28.43 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.597 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 38.7 mt-10 -71.43 -38.36 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.96 68.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 44.8 mm-40 -64.05 -40.48 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.113 0.482 . . . . 0.0 110.889 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.43 -18.59 69.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.038 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.66 HG12 HG13 ' A' ' 17' ' ' VAL . 69.8 mt -92.7 128.69 44.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 0.0 111.279 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' MET . 24.6 m -100.78 129.79 46.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.404 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.537 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 27.0 m -122.73 160.4 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 0.0 111.63 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.184 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.442 HD11 ' HE1' ' A' ' 1' ' ' MET . 36.7 mm -70.71 126.8 31.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.014 0.435 . . . . 0.0 111.334 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 13' ' ' GLU . 32.3 mt -86.67 42.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.471 0.653 . . . . 0.0 111.032 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.93 101.73 2.92 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.898 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.84 71.57 2.98 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.45 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -92.12 175.64 6.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -98.76 -164.68 1.16 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.82 3.57 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -174.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.9 t60 67.34 75.16 0.31 Allowed Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 123.83 0.852 . . . . 0.0 109.787 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.63 -7.39 8.63 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.893 2.395 . . . . 0.0 113.696 -175.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -112.81 130.74 55.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.17 -112.71 3.12 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.563 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -80.25 147.02 63.7 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.979 0.419 . . . . 0.0 111.49 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.66 87.8 1.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.854 2.369 . . . . 0.0 112.332 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.5 24.26 0.58 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.66 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -114.71 -30.02 6.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.738 0.304 . . . . 0.0 110.958 -178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -103.59 -33.33 9.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.301 0.572 . . . . 0.0 109.666 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -136.74 116.69 13.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.763 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -133.89 107.5 7.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.941 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -139.87 118.02 11.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 111.124 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 92' ' ' ARG . 11.9 ttm180 -152.13 135.4 15.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.667 173.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.51 116.37 5.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.211 175.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . -177.11 -163.27 28.93 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.558 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 70.4 tttt 70.84 157.41 0.17 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.05 0.452 . . . . 0.0 111.011 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.558 ' N ' ' HG2' ' A' ' 95' ' ' LYS . 8.7 tpt180 -68.8 95.1 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.88 80.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.062 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.85 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.5 pt? -76.42 80.6 3.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.594 0.711 . . . . 0.0 110.378 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -80.49 78.49 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.613 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -178.3 -44.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.187 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.562 ' HB2' HD12 ' A' ' 98' ' ' LEU . 96.5 m-70 -89.97 98.09 11.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.417 0.627 . . . . 0.0 111.494 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -117.17 -28.69 6.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.821 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -101.65 -5.73 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.756 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -112.74 128.83 56.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.48 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 . . . . . 0 C--O 1.252 1.187 0 O-C-N 124.21 0.944 . . . . 0.0 110.936 172.615 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HE1' HD11 ' A' ' 73' ' ' ILE . 27.4 ttt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 14.1 mptt -83.25 146.83 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.287 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.584 HD23 HD12 ' A' ' 69' ' ' ILE . 20.0 tp -65.05 -29.79 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.522 0.677 . . . . 0.0 109.234 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 t -75.34 -11.24 60.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.039 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER -93.76 -2.3 53.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 -178.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.538 HD12 HD12 ' A' ' 3' ' ' LEU . 62.8 mt -76.86 160.16 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -111.06 169.53 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 108.99 4.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.068 0.461 . . . . 0.0 110.54 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.99 -12.37 20.09 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.212 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.27 137.78 40.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -115.16 122.88 47.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.732 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.93 158.52 43.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.843 -174.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.668 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 15.5 pt-20 -108.19 144.98 34.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.783 0.325 . . . . 0.0 110.162 175.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.4 t -76.35 117.53 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -97.63 -26.81 14.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.65 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.48 ' HB3' ' HB ' ' A' ' 70' ' ' THR . 27.5 t -159.57 157.58 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 HG12 ' A' ' 69' ' ' ILE . 7.6 p -143.08 133.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.003 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.13 110.14 9.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.836 0.351 . . . . 0.0 110.657 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -164.42 174.06 11.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.116 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -59.13 146.41 77.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.349 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.58 -40.73 71.91 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.23 2.62 . . . . 0.0 113.124 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.01 86.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.099 0.476 . . . . 0.0 111.059 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 87.1 t -69.33 -41.88 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.969 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' MET . 35.6 ttm180 -60.88 -47.53 85.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.748 178.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -57.66 -41.09 80.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.617 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.463 HH11 ' HD3' ' A' ' 26' ' ' ARG . 16.9 ttt180 -61.73 -46.33 90.1 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 176.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.2 mt -62.33 -42.74 99.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.569 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.3 mtp -61.51 -38.12 86.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.15 -30.37 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.66 0.41 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.837 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.86 17.01 53.43 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.759 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 tt -98.37 93.95 6.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.243 0.544 . . . . 0.0 109.718 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.72 178.37 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.547 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -66.1 122.58 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -18.12 40.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.79 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.94 133.1 46.13 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.668 ' HG2' ' HB3' ' A' ' 13' ' ' GLU . 38.3 mttp -109.78 130.63 55.5 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.123 -174.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -133.14 163.81 28.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.705 -173.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -135.59 134.93 39.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.652 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.761 ' HA ' HG12 ' A' ' 52' ' ' VAL . 57.2 t -73.1 126.45 33.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -91.29 -54.76 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 1.8 ptm180 -157.65 168.02 28.45 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.968 0.414 . . . . 0.0 111.339 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.5 148.61 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.415 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -75.01 165.84 50.52 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 173.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 31.1 Cg_endo -62.81 5.99 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.212 2.608 . . . . 0.0 114.105 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.6 mt -131.97 11.48 4.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.694 0.283 . . . . 0.0 110.297 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.46 71.45 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.61 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -161.88 128.04 2.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 4.0 Cg_exo -78.48 -179.27 26.4 Favored 'Cis proline' 0 C--O 1.235 0.366 0 C-N-CA 123.663 -1.39 . . . . 0.0 113.416 1.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.29 137.57 55.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.204 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -111.18 124.93 53.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.761 HG12 ' HA ' ' A' ' 40' ' ' VAL . 30.4 m -133.73 157.19 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.069 0.461 . . . . 0.0 111.477 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 50.6 t-20 -105.21 100.98 10.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.539 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 53.8 t -111.46 115.02 28.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.941 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 64.03 20.54 12.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.72 -1.04 63.36 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.881 -177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.6 tpp -96.57 127.79 42.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 105.21 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -130.33 140.46 50.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.406 -174.005 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.8 m -94.93 125.91 39.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.518 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.3 ptm -132.52 160.74 35.66 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.231 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.514 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 6.4 mmm180 -87.2 156.91 19.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 0.0 110.388 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.19 -44.76 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.555 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 7.9 p30 -60.39 -28.62 68.37 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 -178.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' ' 62' ' ' ARG . 43.0 mt-10 -71.83 -38.79 70.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' HB1' ' HG ' ' A' ' 3' ' ' LEU . . . -73.48 -25.98 60.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.754 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.555 ' HG3' ' HA ' ' A' ' 64' ' ' ASN . 2.5 mm-40 -60.22 -46.52 89.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.825 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.41 -16.71 67.66 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.169 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.659 HG12 HG23 ' A' ' 17' ' ' VAL . 64.9 mt -91.56 133.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.294 0.569 . . . . 0.0 111.323 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.48 ' HB ' ' HB3' ' A' ' 16' ' ' SER . 17.7 m -107.26 125.04 50.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.772 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.75 161.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.083 0.468 . . . . 0.0 111.509 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -125.25 119.92 29.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.215 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.403 HD11 ' HE1' ' A' ' 1' ' ' MET . 57.2 mt -63.86 132.66 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.004 0.43 . . . . 0.0 110.689 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 37' ' ' LYS . 48.0 mt -89.24 51.36 2.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.565 0.697 . . . . 0.0 110.666 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.92 -44.11 17.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.182 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.27 -103.38 2.06 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.966 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -151.06 -65.55 0.19 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.34 99.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.856 0.723 . . . . 0.0 111.523 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.507 ' O ' ' HD3' ' A' ' 81' ' ' PRO . . . -80.99 79.74 1.77 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.821 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -107.09 88.84 4.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 79' ' ' GLY . 64.0 Cg_exo -50.61 116.85 2.81 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.895 2.397 . . . . 0.0 113.19 -174.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -141.91 179.93 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.401 175.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.91 54.97 3.44 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.348 -0.93 . . . . 0.0 111.439 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -66.15 145.59 99.0 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -54.21 86.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.059 2.506 . . . . 0.0 112.088 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.49 -177.37 37.08 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.8 t80 59.81 70.37 0.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.781 0.8 . . . . 0.0 108.996 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -139.46 132.14 28.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.888 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -157.01 94.93 1.46 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.206 0.527 . . . . 0.0 111.006 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -157.93 30.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -67.54 108.22 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.928 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -77.8 153.14 33.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -119.06 147.59 43.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.36 148.98 19.18 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.307 -174.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -129.44 112.84 14.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -152.01 100.1 2.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.857 0.36 . . . . 0.0 110.558 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.54 150.48 41.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.81 93.68 6.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.083 0.468 . . . . 0.0 110.248 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -96.0 120.65 36.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.648 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -106.77 -169.22 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.423 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -76.06 -50.84 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.667 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -111.1 131.93 54.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.93 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -86.65 -26.43 24.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.463 0.649 . . . . 0.0 109.391 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -121.67 140.8 51.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.978 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 76.0 t60 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.885 -178.381 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.713 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -81.28 156.53 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.251 0.548 . . . . 0.0 112.017 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.602 HD12 HD12 ' A' ' 6' ' ' LEU . 31.3 tp -65.56 -29.74 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.525 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 t -71.91 -20.42 61.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.018 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.713 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 20.9 mm-40 -94.42 6.75 47.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.735 -176.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.741 HD22 HD11 ' A' ' 73' ' ' ILE . 23.0 mt -82.25 -179.5 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.141 0.496 . . . . 0.0 111.564 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HE2' ' OD2' ' A' ' 10' ' ' ASP . 38.1 mtmt -126.21 169.27 13.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.359 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 109.41 7.15 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.24 5.38 34.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.686 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' OD2' ' HE2' ' A' ' 7' ' ' LYS . 1.2 m-20 -87.08 118.81 26.72 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.306 0.574 . . . . 0.0 110.707 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -100.77 119.96 39.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.556 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.799 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -134.89 172.68 12.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.315 -172.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -123.51 131.59 53.68 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.595 HG23 HD22 ' A' ' 38' ' ' LEU . 59.5 t -70.96 125.39 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.731 0.301 . . . . 0.0 110.845 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -89.95 -52.62 4.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.002 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -153.66 136.7 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.014 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.669 HG13 HG12 ' A' ' 69' ' ' ILE . 25.6 t -102.08 108.46 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.569 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.54 106.91 19.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.22 174.42 15.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.353 -173.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.826 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -62.47 142.85 96.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.826 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 1.1 Cg_endo -45.53 -49.1 10.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.217 2.611 . . . . 0.0 113.236 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.42 70.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.422 HG11 ' OE1' ' A' ' 65' ' ' GLU . 77.9 t -65.94 -44.29 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.018 0.437 . . . . 0.0 110.212 -177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -61.11 -43.54 98.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.709 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 51.5 tpt85 -59.91 -40.24 88.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.669 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 99.3 mtt180 -69.88 -47.35 62.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.729 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 41.4 mtm -69.35 -28.61 66.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.739 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' ARG . 15.9 t70 -68.09 -35.46 78.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.8 mt -73.44 -42.5 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.306 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.3 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' HG2' ' A' ' 28' ' ' MET . 4.9 tt -101.61 91.33 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.25 -178.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -66.14 129.37 39.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.266 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 -0.98 79.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.97 126.2 30.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.83 0.347 . . . . 0.0 110.282 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -92.14 124.64 36.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.669 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.595 HD22 HG23 ' A' ' 14' ' ' VAL . 2.4 pt? -135.42 149.58 49.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 -176.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.73 124.58 47.65 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.701 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.503 HG22 HG12 ' A' ' 52' ' ' VAL . 95.0 t -70.57 109.62 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.34 -54.8 20.41 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -171.41 165.87 7.0 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.298 0.57 . . . . 0.0 110.463 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.87 153.17 17.9 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 167.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.3 162.25 34.49 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 25.1 Cg_endo -61.11 6.13 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.133 2.555 . . . . 0.0 113.796 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 44' ' ' ALA . 95.3 mt -132.45 14.62 4.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.19 -20.45 16.68 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.387 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -144.21 138.89 15.25 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.29 -170.05 7.59 Favored 'Cis proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.666 -1.389 . . . . 0.0 113.515 0.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.625 HD11 ' HG3' ' A' ' 63' ' ' ARG . 38.8 mt -118.35 140.63 41.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.37 115.05 29.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.075 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.503 HG12 HG22 ' A' ' 40' ' ' VAL . 25.4 m -121.72 136.26 59.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.918 0.389 . . . . 0.0 110.753 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -97.79 101.41 12.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.5 t -107.03 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -173.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 57.0 26.65 12.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.085 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.3 62.81 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.936 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -105.87 121.94 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.17 109.07 15.36 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.57 140.33 39.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.991 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.1 m -127.06 129.45 48.04 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.63 176.8 11.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.789 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.613 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 18.0 mmm180 -79.64 149.31 31.33 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.625 ' HG3' HD11 ' A' ' 50' ' ' ILE . 67.4 ttt180 -62.35 -28.78 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -54.73 -42.66 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.853 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.613 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.3 mm-40 -67.29 -38.28 84.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.343 0.592 . . . . 0.0 109.91 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.77 -26.48 64.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.144 -174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.28 -34.74 79.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.529 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.63 -34.35 83.47 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.568 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.669 HG12 HG13 ' A' ' 17' ' ' VAL . 50.9 mt -80.58 122.51 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.915 0.388 . . . . 0.0 111.152 -175.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 m -97.45 130.11 44.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.651 HG21 HD11 ' A' ' 6' ' ' LEU . 26.9 m -133.31 155.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -114.96 123.22 48.55 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.799 HD13 ' HB2' ' A' ' 12' ' ' ALA . 10.5 mm -68.93 122.29 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.215 0.531 . . . . 0.0 111.078 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.61 75.84 8.22 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.491 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.54 77.8 0.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.967 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.57 15.39 1.24 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.08 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -77.3 -50.58 12.53 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.1 156.73 19.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.44 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.82 117.68 1.75 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.902 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -70.26 143.58 91.13 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-O 120.712 0.292 . . . . 0.0 110.49 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.06 115.45 4.0 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.473 2.115 . . . . 0.0 111.778 176.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -64.23 105.6 0.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.494 0.664 . . . . 0.0 111.552 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.39 -115.53 0.46 Allowed Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 85' ' ' PRO . 18.2 t-105 -175.67 144.01 0.72 Allowed Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 84' ' ' TRP . 11.6 Cg_endo -57.38 109.21 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.4 2.067 . . . . 0.0 111.554 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.69 -67.75 0.66 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 t80 64.57 22.13 12.59 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.174 0.511 . . . . 0.0 110.508 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 68.01 92.08 0.08 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.666 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -78.04 169.61 17.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.067 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -84.3 92.93 8.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.092 0.472 . . . . 0.0 109.867 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -103.36 102.21 12.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.742 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -136.54 -56.79 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.724 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 61.72 97.63 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.636 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 95' ' ' LYS . . . -171.22 151.2 15.01 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.501 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 94' ' ' GLY . 63.7 mmtt 71.21 163.19 0.26 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 112.144 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 96' ' ' ARG . 39.5 ttm180 67.03 71.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.327 -178.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.78 128.97 15.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.388 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 94.3 mt -101.67 7.63 41.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.377 -174.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.797 ' HG2' ' H ' ' A' ' 100' ' ' HIS . 29.1 tt0 66.65 -170.79 0.19 Allowed 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.798 0.686 . . . . 0.0 109.644 -177.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.797 ' H ' ' HG2' ' A' ' 99' ' ' GLU . 91.3 m-70 -118.21 100.22 7.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.784 0.326 . . . . 0.0 110.336 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -101.16 -73.82 0.63 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.128 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.9 m80 61.25 -170.75 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.052 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -124.36 112.4 16.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 171.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -91.53 -75.29 0.48 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.117 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.239 178.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.86 0.362 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.579 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 12.8 mptt -78.0 155.87 30.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 6' ' ' LEU . 37.8 tp -65.99 -31.66 72.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.853 173.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 p -77.75 -12.98 60.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.641 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.579 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 57.3 mm-40 -87.37 -6.5 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 3' ' ' LEU . 84.9 mt -76.85 176.81 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.593 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 7.7 ptpp? -126.8 170.94 11.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.825 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 113.69 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.17 -12.1 19.7 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.643 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.593 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 5.0 m-20 -69.02 141.89 54.73 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.14 0.495 . . . . 0.0 111.432 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -117.22 121.29 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.889 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -142.14 155.86 45.34 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.221 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' HD21 ' A' ' 74' ' ' LEU . 10.2 pt-20 -107.26 138.6 43.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 172.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.37 128.22 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.167 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -96.48 -41.85 8.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.236 0.541 . . . . 0.0 109.994 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 p -157.12 142.85 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.218 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.677 HG23 HG12 ' A' ' 69' ' ' ILE . 2.6 p -118.86 109.87 28.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.35 100.49 13.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.686 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.18 164.08 36.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.488 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -62.69 144.73 96.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -47.44 -48.19 15.93 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.608 2.872 . . . . 0.0 113.662 -175.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.09 83.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.77 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.19 -44.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' MET . 41.8 ttp180 -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.787 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 5.6 tpt180 -57.73 -45.0 86.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.984 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 89.0 mtt180 -58.62 -43.73 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.496 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.24 -39.32 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 91.6 mtp -67.21 -38.62 85.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.16 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.49 -34.19 77.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.099 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.0 mt -68.93 -39.33 79.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 109.985 176.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.71 -9.69 2.1 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.254 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.23 94.0 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.489 -175.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -139.03 178.57 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.39 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -57.63 119.46 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 0.0 110.627 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -10.68 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.157 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HB1' HD21 ' A' ' 55' ' ' ASN . . . -68.61 127.11 31.85 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.782 0.291 . . . . 0.0 111.123 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.03 133.0 34.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.181 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 38' ' ' LEU . 3.1 pp -137.59 152.31 49.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 0.0 111.472 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.83 129.19 55.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.44 171.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.744 ' HA ' HG12 ' A' ' 52' ' ' VAL . 52.9 t -73.72 116.63 16.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 53' ' ' ASN . 91.3 mt -88.01 -57.53 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.278 -174.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -155.4 159.44 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.331 0.586 . . . . 0.0 110.847 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -116.79 149.93 39.15 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.072 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -68.54 166.4 26.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.644 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.8 Cg_endo -58.19 7.14 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.539 2.826 . . . . 0.0 114.19 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 44' ' ' ALA . 23.4 mt -131.11 -1.21 4.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.865 0.364 . . . . 0.0 110.281 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.81 -5.08 80.49 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.98 132.92 8.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.02 -175.24 16.33 Favored 'Cis proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.306 -1.539 . . . . 0.0 113.333 0.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -120.08 140.55 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.245 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -112.17 119.23 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.93 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 40' ' ' VAL . 27.2 m -128.56 159.58 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.027 0.442 . . . . 0.0 111.303 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.53 HD22 HD13 ' A' ' 58' ' ' LEU . 25.9 t-20 -110.71 101.76 10.37 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.47 126.15 55.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.444 HD21 ' HB1' ' A' ' 36' ' ' ALA . 27.5 m-80 62.22 21.58 12.56 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.94 0.39 85.69 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.189 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.474 ' HB3' HD21 ' A' ' 59' ' ' LEU . 37.4 ttm -104.09 134.42 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.837 0.351 . . . . 0.0 110.103 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.53 HD13 HD22 ' A' ' 53' ' ' ASN . 2.8 mm? -76.77 106.52 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 57' ' ' MET . 6.8 mt -108.83 139.12 44.1 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -177.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.3 m -130.72 119.74 22.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.464 0.649 . . . . 0.0 110.796 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 174.19 11.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.254 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -91.05 168.46 11.63 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.112 0.482 . . . . 0.0 110.5 -175.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -65.23 -27.24 68.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.898 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -52.75 -45.65 67.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.758 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.1 mp0 -71.97 -44.09 64.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.217 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.34 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.416 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.66 -40.93 89.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.238 0.542 . . . . 0.0 110.551 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.84 -31.14 77.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.229 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.677 HG12 HG23 ' A' ' 17' ' ' VAL . 63.7 mt -80.41 121.38 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.099 0.476 . . . . 0.0 111.239 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 m -100.17 129.35 46.18 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 6' ' ' LEU . 33.8 m -127.75 166.8 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.07 0.462 . . . . 0.0 111.259 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -130.74 123.69 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.715 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 70.6 mt -67.1 134.19 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.195 0.521 . . . . 0.0 111.593 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 13' ' ' GLU . 81.7 mt -97.72 82.07 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.861 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.92 102.22 1.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.427 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.59 38.7 1.76 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.693 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 61.69 22.15 12.73 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.951 0.5 . . . . 0.0 111.676 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -88.14 -172.95 4.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.352 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.07 53.64 4.4 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 173.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.42 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 4.1 p-80 -87.13 165.31 32.15 Favored Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 122.747 0.419 . . . . 0.0 110.789 -175.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 80' ' ' HIS . 75.7 Cg_exo -51.45 145.1 29.68 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.035 2.49 . . . . 0.0 112.868 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' A' ' 82' ' ' HIS . 7.6 p80 -89.75 179.09 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.958 -178.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -88.27 -149.84 19.31 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.512 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.447 ' CD2' ' HD2' ' A' ' 85' ' ' PRO . 70.8 t-105 -147.55 141.23 15.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.447 ' HD2' ' CD2' ' A' ' 84' ' ' TRP . 35.0 Cg_endo -66.89 110.47 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.736 2.291 . . . . 0.0 112.645 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.24 -51.26 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.799 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 56.48 39.58 29.9 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.483 0.658 . . . . 0.0 110.193 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -94.8 24.2 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.135 -175.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HA ' ' HE ' ' A' ' 89' ' ' ARG . 4.4 tpm_? -134.64 55.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.25 0.548 . . . . 0.0 111.106 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 -82.01 96.63 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -142.75 99.84 3.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.216 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -97.18 13.53 28.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.88 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -102.48 150.26 23.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.427 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -174.4 -153.37 9.88 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.11 -1.043 . . . . 0.0 112.211 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 67.01 171.03 0.25 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.534 0.683 . . . . 0.0 111.721 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -151.56 -73.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.059 172.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.533 ' HB1' ' HG2' ' A' ' 99' ' ' GLU . . . -169.61 -61.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.27 175.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.7 mp 56.15 46.94 20.51 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.215 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.533 ' HG2' ' HB1' ' A' ' 97' ' ' ALA . 76.8 mm-40 -73.47 106.17 5.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.591 -178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -87.89 105.73 17.63 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -89.59 133.96 34.36 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.995 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -120.69 90.91 3.42 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -78.6 -52.1 8.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.31 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 60.98 -179.07 0.11 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.217 0.532 . . . . 0.0 111.442 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.2 t60 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.681 -0.676 . . . . 0.0 109.291 178.524 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.887 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 10.8 mptt -80.37 155.81 27.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.044 0.45 . . . . 0.0 111.073 -177.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 6' ' ' LEU . 26.6 tp -65.33 -30.32 71.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.56 172.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 p -77.96 -14.5 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.868 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.887 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 52.6 mt-10 -84.69 -5.16 59.3 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.286 0.565 . . . . 0.0 110.631 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 3' ' ' LEU . 84.4 mt -76.72 168.41 20.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.763 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.536 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 28.1 mmtm -108.07 166.18 10.92 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 92.6 0.93 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.179 0.514 . . . . 0.0 110.243 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 -10.43 4.81 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.573 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.536 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 1.5 m-20 -70.78 134.89 47.78 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.941 0.4 . . . . 0.0 111.184 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' HG2' HD12 ' A' ' 74' ' ' LEU . 30.3 ttm-85 -106.54 127.25 53.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.205 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.53 173.99 11.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.065 0.459 . . . . 0.0 111.239 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.645 ' HB2' HD21 ' A' ' 74' ' ' LEU . 44.6 tt0 -125.52 135.92 52.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.109 175.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG23 HD22 ' A' ' 38' ' ' LEU . 88.7 t -72.28 109.75 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.451 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 17.5 p -86.95 -30.44 21.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -161.27 149.51 15.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.636 0.255 . . . . 0.0 111.021 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.683 HG12 HG12 ' A' ' 69' ' ' ILE . 2.7 m -120.17 109.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.39 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.04 94.17 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.189 0.518 . . . . 0.0 111.229 -177.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.15 176.77 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.479 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.57 143.73 36.45 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 123.318 0.386 . . . . 0.0 110.106 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.44 -35.19 74.86 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 123.076 2.517 . . . . 0.0 112.516 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -69.0 -49.86 54.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 56.4 t -64.81 -43.78 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.336 0.589 . . . . 0.0 109.739 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HB3' ' HE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -54.05 -41.86 68.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.314 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -72.17 -45.86 58.73 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 95.5 mtt180 -59.01 -32.32 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.036 -177.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 93.3 mt -68.64 -46.07 70.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.356 -0.383 . . . . 0.0 109.977 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 27.5 mtm -65.8 -39.44 90.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -27.42 69.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.332 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 82.4 mt -76.6 -45.21 31.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.82 -0.03 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.427 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 4.9 tt -90.83 83.91 5.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 28' ' ' MET . 27.7 m -107.3 172.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.684 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD2' ' O ' ' A' ' 15' ' ' THR . 13.8 ttp85 -70.85 121.55 18.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.9 -4.8 39.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.357 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 55' ' ' ASN . . . -75.28 132.02 40.74 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.763 -0.257 . . . . 0.0 110.622 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -92.69 129.9 38.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.583 ' CB ' ' HA ' ' A' ' 54' ' ' CYS . 2.4 pt? -137.05 164.89 27.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.063 0.458 . . . . 0.0 111.366 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -131.94 133.3 44.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.518 ' HA ' HG12 ' A' ' 52' ' ' VAL . 92.5 t -73.29 132.81 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.07 -56.05 2.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.734 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -158.02 156.66 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.501 ' CE2' HG11 ' A' ' 40' ' ' VAL . 76.2 m-85 -116.79 138.7 51.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.119 174.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -68.44 164.91 39.68 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 23.7 Cg_endo -61.08 6.35 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.774 0 C-N-CA 123.381 2.721 . . . . 0.0 114.163 -178.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.6 mt -132.22 11.71 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.25 19.62 70.53 Favored Glycine 0 C--N 1.332 0.347 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -172.77 128.89 0.56 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 114.72 -0.74 . . . . 0.0 109.099 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.04 -179.84 28.79 Favored 'Cis proline' 0 C--O 1.234 0.311 0 C-N-CA 123.321 -1.533 . . . . 0.0 113.164 -0.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.6 mt -121.08 135.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 -177.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.12 118.56 37.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 40' ' ' VAL . 27.5 m -131.98 149.28 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.059 0.457 . . . . 0.0 111.33 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 57' ' ' MET . 46.3 t-20 -102.95 100.85 10.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.583 ' HA ' ' CB ' ' A' ' 38' ' ' LEU . 51.6 t -101.45 107.04 18.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -174.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HB2' ' HB1' ' A' ' 36' ' ' ALA . 42.1 t30 63.14 31.24 15.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.507 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.76 22.1 21.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.536 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.489 ' HG2' HD22 ' A' ' 59' ' ' LEU . 33.8 ttp -138.22 129.41 27.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.534 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.71 110.32 22.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -134.74 134.32 40.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.239 0.543 . . . . 0.0 110.773 -177.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.1 m -102.18 120.92 41.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.172 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -136.26 179.51 6.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -91.85 159.93 15.55 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.029 0.443 . . . . 0.0 111.254 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HG2' ' HG2' ' A' ' 67' ' ' GLU . 70.2 ttt180 -65.45 -35.16 80.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.433 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -58.23 -30.13 66.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.125 0.488 . . . . 0.0 110.527 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.501 ' O ' HG13 ' A' ' 69' ' ' ILE . 29.9 mt-10 -75.61 -42.89 50.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.057 176.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.55 75.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.026 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 42.7 mm-40 -54.83 -43.86 73.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.191 0.52 . . . . 0.0 110.697 173.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.08 -28.5 73.79 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.394 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.683 HG12 HG12 ' A' ' 17' ' ' VAL . 76.9 mt -80.49 120.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.265 0.555 . . . . 0.0 111.065 -177.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.4 m -96.92 128.77 44.21 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.154 175.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.517 HG21 HD11 ' A' ' 6' ' ' LEU . 35.5 m -127.54 166.23 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.094 0.473 . . . . 0.0 111.153 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -128.09 126.74 41.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.972 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.86 132.08 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 111.069 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 13' ' ' GLU . 79.1 mt -81.62 79.36 8.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.705 -178.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.91 -170.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.223 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -98.32 34.97 4.87 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.699 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -105.66 107.58 18.65 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.51 100.21 4.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.764 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -134.3 29.64 3.01 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -150.67 158.57 35.39 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -78.15 127.62 8.52 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.668 2.245 . . . . 0.0 110.823 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -57.06 -59.55 4.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 110.749 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 176.8 142.92 4.58 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.602 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -123.33 143.52 41.42 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.603 0.239 . . . . 0.0 110.621 -179.292 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 1.5 Cg_endo -86.83 -176.7 2.03 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.324 2.683 . . . . 0.0 112.73 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.28 65.82 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.0 -45.4 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.829 -0.186 . . . . 0.0 111.24 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 62.53 85.97 0.12 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.614 0.571 . . . . 0.0 110.214 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -75.08 154.79 37.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.452 0.644 . . . . 0.0 112.437 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 90' ' ' ARG . 3.9 ptp180 -148.34 147.06 28.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.602 173.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -162.53 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 64.92 102.99 0.04 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.313 0.578 . . . . 0.0 111.787 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -153.89 -177.55 6.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.678 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.51 110.73 0.48 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.226 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -114.19 145.51 41.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 96' ' ' ARG . 15.0 ptt180 -83.35 174.06 11.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.764 -178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -132.48 132.83 43.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.956 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.43 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -128.89 129.49 45.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.075 0.464 . . . . 0.0 110.514 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -145.23 150.33 36.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.313 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -72.34 146.75 46.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -75.97 123.44 25.74 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.23 98.56 5.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.396 0.617 . . . . 0.0 110.711 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.99 -57.27 0.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -156.14 158.51 37.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.544 -1.207 . . . . 0.0 108.462 172.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.266 -176.351 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HE1' HG12 ' A' ' 73' ' ' ILE . 54.0 ttp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.718 0.294 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.896 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 14.1 mptt -83.3 159.28 21.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 6' ' ' LEU . 46.1 tp -65.64 -29.76 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.489 171.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.2 p -75.46 -10.88 59.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.389 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.896 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 41.0 mt-10 -93.84 -9.03 38.69 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.849 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 3' ' ' LEU . 81.6 mt -69.27 163.29 25.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.087 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.634 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 5.5 ptpp? -132.93 24.91 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.52 137.14 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.374 0.607 . . . . 0.0 111.483 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.22 5.8 86.95 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.634 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 70.2 m-20 -102.69 126.67 49.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.058 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -102.61 120.45 40.57 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.655 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -138.97 155.86 47.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.96 -175.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -104.4 141.31 36.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.47 109.15 10.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.594 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 p -83.69 -36.39 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.631 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -155.88 127.63 7.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.416 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.803 HG23 HG12 ' A' ' 69' ' ' ILE . 2.9 p -108.99 109.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.293 0.568 . . . . 0.0 110.858 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.3 141.41 37.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.156 176.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -172.6 -176.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.674 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.19 144.53 99.05 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -47.58 -46.1 21.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.404 2.736 . . . . 0.0 112.964 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.99 75.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.309 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.489 HG11 ' HG2' ' A' ' 65' ' ' GLU . 53.8 t -70.92 -43.78 76.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.842 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.592 ' O ' ' HG3' ' A' ' 28' ' ' MET . 5.5 tmm_? -62.21 -37.64 86.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.901 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -66.5 -47.18 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.923 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 tmt_? -61.61 -40.33 94.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.742 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -65.22 -38.64 91.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.761 177.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.2 mtm -71.82 -31.37 66.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.519 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.77 -30.11 69.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.645 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 83.8 mt -72.08 -43.27 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.39 5.78 0.48 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.827 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tt -92.35 92.97 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.107 0.48 . . . . 0.0 109.862 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.99 -178.13 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.855 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -67.56 120.57 14.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.53 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.27 0.46 40.94 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.134 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.69 128.89 36.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.536 0.207 . . . . 0.0 110.797 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 10.8 mptt -95.65 126.01 40.63 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 3.4 pp -130.9 154.92 47.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 0.0 111.738 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -125.9 123.67 39.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.087 172.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HA ' HG12 ' A' ' 52' ' ' VAL . 62.4 t -67.69 116.47 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 53' ' ' ASN . 68.0 mt -79.75 -56.88 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 -175.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -169.18 164.69 11.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 91.8 m-85 -108.28 156.92 18.83 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.655 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -65.05 167.78 8.93 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 171.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.655 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 11.1 Cg_endo -54.0 -7.16 0.59 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.158 2.572 . . . . 0.0 113.749 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.5 mt -132.09 19.61 4.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 0.0 110.177 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.617 ' HA2' ' HB3' ' A' ' 43' ' ' PHE . . . 82.72 -40.72 2.79 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.185 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.28 132.05 21.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.893 0.477 . . . . 0.0 110.16 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 5.0 Cg_exo -80.19 -178.66 23.62 Favored 'Cis proline' 0 C--N 1.35 0.606 0 C-N-CA 124.112 -1.203 . . . . 0.0 113.288 0.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.521 HG12 ' HD1' ' A' ' 43' ' ' PHE . 57.2 mt -117.09 134.47 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.691 -176.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -94.66 117.69 30.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.51 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 40' ' ' VAL . 18.7 m -130.93 140.93 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.217 0.532 . . . . 0.0 111.633 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.539 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 26.8 t-20 -94.76 100.9 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.562 ' HB3' HD23 ' A' ' 59' ' ' LEU . 50.9 t -109.33 114.57 28.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -174.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 63.52 29.37 15.34 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.658 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.22 14.31 80.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.739 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.1 ttm -118.22 142.5 47.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.9 mt -82.75 111.62 18.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.703 0.287 . . . . 0.0 110.339 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 54' ' ' CYS . 3.9 mm? -113.85 147.12 38.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.266 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.2 m -127.69 119.56 26.09 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.446 ' CE ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -135.02 168.03 19.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.566 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.585 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 13.8 mmm-85 -94.5 163.6 13.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.806 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -64.74 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.558 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -61.0 -33.85 73.9 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.575 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HG2' HG11 ' A' ' 23' ' ' VAL . 1.3 mp0 -74.99 -35.08 62.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.133 0.492 . . . . 0.0 110.03 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' HB2' ' CE ' ' A' ' 61' ' ' MET . . . -66.67 -29.69 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.805 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.35 -37.92 88.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.721 0.296 . . . . 0.0 110.586 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.08 -30.33 75.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.427 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.803 HG12 HG23 ' A' ' 17' ' ' VAL . 56.1 mt -81.69 121.17 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.974 0.416 . . . . 0.0 111.267 -175.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.7 m -101.41 132.46 46.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 6' ' ' LEU . 35.4 m -126.84 159.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.114 0.483 . . . . 0.0 111.794 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -123.77 121.71 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.464 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' A' ' 12' ' ' ALA . 23.5 mm -64.65 126.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.161 0.505 . . . . 0.0 111.735 -177.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.57 81.91 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.713 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.91 -154.59 0.55 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.196 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.12 67.39 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.551 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -138.77 150.84 46.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.43 -85.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.322 -0.151 . . . . 0.0 110.603 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.49 -93.58 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.519 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.555 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 20.7 p-80 -142.12 164.06 36.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 80' ' ' HIS . 11.8 Cg_endo -56.42 103.18 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.517 2.145 . . . . 0.0 112.304 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -86.75 -3.41 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.63 78.44 0.92 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.485 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -71.97 143.77 86.94 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -46.94 98.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.347 2.698 . . . . 0.0 113.219 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.79 83.71 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.443 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -93.89 107.49 19.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.349 0.595 . . . . 0.0 110.55 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -111.06 118.35 35.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.007 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 89' ' ' ARG . 5.8 mtp-105 -112.63 148.74 33.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.536 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -93.76 117.11 29.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -79.66 108.51 13.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.644 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -100.05 137.96 37.78 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -104.37 143.59 32.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -172.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -122.64 105.23 0.94 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.735 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -89.25 144.68 25.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.764 0.316 . . . . 0.0 110.844 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.506 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 4.0 mmp_? -124.63 110.93 15.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.812 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.19 122.1 34.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.3 tp -116.69 120.01 37.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.086 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -121.43 132.58 54.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.594 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -167.73 137.09 2.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.514 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -126.43 126.87 44.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -76.33 -41.71 47.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.762 -173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.5 t60 57.79 69.7 0.71 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.228 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 60.8 m80 59.6 62.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.457 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.537 -0.744 . . . . 0.0 111.327 178.164 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.059 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 5.3 mptp? -72.81 152.88 41.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.541 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 6' ' ' LEU . 41.2 tp -65.32 -30.28 71.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.505 0.669 . . . . 0.0 109.327 171.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.5 t -76.46 -11.79 59.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.155 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 1.059 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 8.3 mm-40 -82.17 -14.6 55.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.651 0.263 . . . . 0.0 110.635 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 3' ' ' LEU . 89.0 mt -70.09 168.38 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 23.6 pttm -133.28 24.84 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -169.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 69.75 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.566 0.698 . . . . 0.0 111.649 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.09 -7.62 64.6 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' OD2' ' HG2' ' A' ' 7' ' ' LYS . 26.9 m-20 -91.02 137.76 32.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.45 -178.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -113.68 125.1 53.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 173.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.43 156.82 47.88 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.274 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.805 ' HB2' HD21 ' A' ' 74' ' ' LEU . 35.7 tt0 -100.47 135.52 41.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.2 107.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.47 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.7 p -83.42 -34.78 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.172 0.511 . . . . 0.0 110.08 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -164.53 143.23 7.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.297 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.762 HG23 HG12 ' A' ' 69' ' ' ILE . 2.8 p -120.53 112.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.25 109.56 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.212 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.59 161.44 41.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.153 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.72 146.18 90.91 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -40.85 -52.91 3.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.951 3.101 . . . . 0.0 113.686 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.01 98.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.632 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 86.8 t -71.87 -42.02 69.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.618 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 28' ' ' MET . 6.2 tmm_? -63.33 -39.51 94.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.49 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 25' ' ' ARG . 15.4 ttp180 -72.6 -38.04 67.94 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.0 ttt-85 -58.5 -43.93 89.23 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.396 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 94.5 mt -64.12 -39.29 93.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 23.5 mtm -69.54 -34.36 74.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.785 0.326 . . . . 0.0 110.433 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -66.13 -28.9 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.07 -39.93 48.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.205 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.69 3.23 0.71 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.851 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.0 tt -92.18 97.39 10.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.981 0.42 . . . . 0.0 109.887 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.18 176.8 8.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.468 HH21 ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -69.25 116.23 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 105.81 -0.96 38.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.082 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.3 143.75 42.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.747 0.308 . . . . 0.0 110.599 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -104.22 120.49 41.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.2 pp -120.43 146.47 46.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.323 0.583 . . . . 0.0 111.406 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -123.03 120.28 32.86 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.708 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 8' ' ' ALA . 94.1 t -71.67 114.57 10.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.747 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -80.18 -49.15 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 44.8 ttt-85 -173.02 161.58 4.43 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.463 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 98.3 m-85 -115.22 144.54 43.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.574 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.29 166.12 11.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 24.5 Cg_endo -61.16 5.17 0.18 Allowed 'Trans proline' 0 N--CA 1.48 0.702 0 C-N-CA 123.107 2.538 . . . . 0.0 113.888 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.4 mt -133.43 6.28 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.715 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.88 4.82 86.19 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.135 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -149.83 126.2 5.21 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.33 -174.69 14.83 Favored 'Cis proline' 0 C--O 1.237 0.425 0 C-N-CA 123.559 -1.434 . . . . 0.0 113.61 1.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.443 HG22 HG13 ' A' ' 52' ' ' VAL . 68.3 mt -123.62 133.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.472 -177.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -101.12 117.21 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.659 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 40' ' ' VAL . 30.1 m -132.27 149.1 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 25.7 t-20 -106.0 106.93 17.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.583 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.8 t -107.14 111.62 24.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.496 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 56.41 27.97 12.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.707 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.46 -2.8 63.11 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.282 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -100.78 130.59 46.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.062 0.431 . . . . 0.0 110.291 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 53' ' ' ASN . 78.6 mt -83.55 103.19 12.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -105.29 133.04 50.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.185 -175.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.5 m -102.77 119.89 39.63 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.3 mtm -130.49 169.15 15.93 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.43 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -95.75 175.07 6.66 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.767 177.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -65.25 -33.79 76.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -53.94 -49.83 67.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.148 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 69' ' ' ILE . 15.2 mp0 -62.85 -47.91 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.511 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.42 73.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.303 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 5.9 mm-40 -65.62 -41.46 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.221 0.534 . . . . 0.0 110.342 175.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.03 -31.08 74.5 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.722 -0.672 . . . . 0.0 113.067 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.762 HG12 HG23 ' A' ' 17' ' ' VAL . 61.7 mt -77.59 129.55 37.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.119 0.485 . . . . 0.0 111.885 -175.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -103.37 120.08 40.12 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.475 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.7 m -122.95 167.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.746 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -133.91 123.39 24.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.463 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.91 128.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.164 0.507 . . . . 0.0 111.415 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 13' ' ' GLU . 96.2 mt -84.07 83.35 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.667 -177.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.18 148.52 11.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.292 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.41 77.67 2.06 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -84.76 -173.21 4.6 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.39 -55.24 22.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.067 0.461 . . . . 0.0 110.913 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.37 72.05 0.32 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.063 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -76.16 144.36 75.06 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 120.667 0.27 . . . . 0.0 110.698 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.1 109.79 2.27 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 123.01 2.474 . . . . 0.0 113.07 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -78.61 156.79 28.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.968 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.97 174.96 42.91 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.573 ' CD2' ' HD2' ' A' ' 85' ' ' PRO . 62.9 t-105 -112.41 141.12 24.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 84' ' ' TRP . 80.9 Cg_endo -79.38 -0.08 10.44 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.652 2.235 . . . . 0.0 113.241 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.02 -66.01 1.61 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.896 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.512 ' O ' ' HD2' ' A' ' 88' ' ' ARG . 77.2 t80 62.22 91.14 0.07 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.175 0.512 . . . . 0.0 111.206 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' A' ' 87' ' ' PHE . 8.0 mpt_? -130.64 117.74 19.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.512 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 72.1 148.95 0.09 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.944 0.777 . . . . 0.0 111.946 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.871 ' H ' ' HD3' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -91.06 176.16 6.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.189 178.54 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -119.39 -30.29 4.93 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.192 -0.203 . . . . 0.0 111.242 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -125.04 143.97 50.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.108 0.48 . . . . 0.0 111.519 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -122.78 101.7 7.6 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . -88.99 109.55 3.58 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 -163.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 94' ' ' GLY . 8.8 ptpp? 178.68 153.94 0.38 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.698 0.799 . . . . 0.0 108.872 167.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -159.68 137.85 10.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.32 104.5 14.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.442 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -112.53 30.01 7.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.171 0.51 . . . . 0.0 110.879 -175.055 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -112.19 136.0 52.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -101.08 81.8 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.411 0.624 . . . . 0.0 110.16 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -127.7 135.19 49.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.358 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -56.93 135.71 55.99 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.632 0.583 . . . . 0.0 111.479 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -147.79 149.33 32.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.774 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -103.82 -33.41 8.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.626 0.25 . . . . 0.0 111.179 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.878 179.734 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.928 0.394 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.906 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.1 mptt -81.97 158.78 23.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 -173.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.581 HD12 HD12 ' A' ' 6' ' ' LEU . 43.2 tp -65.81 -28.92 69.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.657 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -74.95 -20.74 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.649 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.906 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 54.4 mt-10 -87.0 -2.71 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.952 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.768 HD22 HD11 ' A' ' 73' ' ' ILE . 29.3 mt -71.58 175.95 5.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.7 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -121.07 161.62 21.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 108.59 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.493 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.87 -3.32 25.83 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.019 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -80.58 137.95 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.792 0.329 . . . . 0.0 111.105 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.61 HH22 ' HB3' ' A' ' 87' ' ' PHE . 81.8 mtt180 -100.91 131.73 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.611 175.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.95 159.37 42.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.185 0.516 . . . . 0.0 111.53 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.523 ' HB2' HD21 ' A' ' 74' ' ' LEU . 40.7 tt0 -116.99 128.09 54.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.58 123.69 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.791 0.329 . . . . 0.0 110.961 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 p -103.45 -28.24 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' THR . 60.2 m -154.69 144.29 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.625 0.25 . . . . 0.0 111.044 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.424 HG13 HG12 ' A' ' 69' ' ' ILE . 22.4 t -128.67 128.95 68.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.513 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.52 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -134.27 118.82 17.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.737 0.303 . . . . 0.0 110.565 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -158.39 177.7 10.97 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -59.6 145.34 83.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -45.39 -52.03 7.15 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.711 2.941 . . . . 0.0 113.971 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.08 59.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 0.0 111.086 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.95 -42.24 46.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.169 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -63.8 -38.94 92.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.519 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -56.02 -47.67 77.39 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 174.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -60.89 -43.8 97.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.77 -48.57 78.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.688 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.611 ' SD ' HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -69.73 -29.24 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.962 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.9 -41.49 91.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.23 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.3 -63.51 1.05 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.993 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 163.87 30.76 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -105.57 87.64 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.611 HG12 ' SD ' ' A' ' 28' ' ' MET . 35.5 m -132.59 179.55 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -67.45 117.59 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 -3.45 49.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.133 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.19 130.77 39.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -108.56 126.66 53.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.656 -175.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -136.16 165.3 26.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.211 0.529 . . . . 0.0 111.741 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -127.55 129.15 46.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.861 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.798 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.3 t -69.64 129.61 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.108 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.838 HD11 HD22 ' A' ' 58' ' ' LEU . 86.1 mt -92.77 -59.48 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.146 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -166.69 161.95 16.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.086 0.469 . . . . 0.0 110.254 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.434 ' HD1' HG12 ' A' ' 50' ' ' ILE . 75.6 m-85 -113.79 150.99 32.64 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -71.29 164.22 59.15 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 28.9 Cg_endo -62.13 6.1 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.6 0 C-N-CA 123.348 2.699 . . . . 0.0 114.125 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.65 6.28 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.42 6.77 86.81 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.694 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -151.12 124.99 4.38 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.84 -176.51 14.86 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.596 -1.418 . . . . 0.0 112.828 -0.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.476 HG22 HG13 ' A' ' 52' ' ' VAL . 61.1 mt -118.99 134.32 62.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.298 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.05 118.83 37.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.6 m -136.86 144.07 33.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.754 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -88.94 101.11 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 38.0 t -114.58 121.62 44.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.38 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 64.38 25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.789 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.89 -7.4 67.53 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.006 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.509 ' HB2' HD21 ' A' ' 59' ' ' LEU . 62.1 mtm -113.23 137.84 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.843 0.322 . . . . 0.0 111.023 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.838 HD22 HD11 ' A' ' 41' ' ' LEU . 43.7 mt -75.3 101.95 4.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 57' ' ' MET . 9.6 mt -100.83 152.14 20.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -176.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.5 m -134.9 120.21 18.99 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.235 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.58 173.4 11.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.147 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.485 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 1.0 OUTLIER -90.71 165.77 13.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.264 0.554 . . . . 0.0 111.167 -175.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -65.07 -27.52 68.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.731 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.415 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 25.9 m-20 -54.12 -46.25 72.11 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.304 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.5 mp0 -68.11 -49.19 62.75 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.468 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.18 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.079 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.104 0.478 . . . . 0.0 110.755 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.52 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.93 -20.33 72.49 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.141 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 65' ' ' GLU . 43.5 mt -92.34 124.83 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.259 0.552 . . . . 0.0 111.12 -176.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 16' ' ' SER . 56.7 m -99.52 129.31 45.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.204 175.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.56 HG21 HD11 ' A' ' 6' ' ' LEU . 32.7 m -125.46 163.06 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.991 0.424 . . . . 0.0 111.325 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -126.76 124.5 39.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.547 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.768 HD11 HD22 ' A' ' 6' ' ' LEU . 21.9 mm -64.94 128.75 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -178.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 13' ' ' GLU . 85.7 mt -83.77 70.25 10.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.24 99.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.81 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.71 36.14 0.57 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.192 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -142.95 102.18 3.97 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.87 150.46 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.4 12.15 49.28 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -174.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -81.33 154.34 71.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.132 -0.534 . . . . 0.0 110.654 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.54 121.75 9.24 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.561 2.174 . . . . 0.0 111.679 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -141.09 99.25 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.232 0.539 . . . . 0.0 110.338 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -164.36 21.63 0.15 Allowed Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.763 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -134.34 143.91 48.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.12 161.54 3.45 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.959 2.439 . . . . 0.0 113.057 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.74 172.54 55.17 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.739 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.61 ' HB3' HH22 ' A' ' 11' ' ' ARG . 82.1 t80 -114.0 160.46 18.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 76.06 130.8 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 124.222 0.951 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -91.02 163.8 14.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.02 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -75.08 103.34 5.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.163 0.506 . . . . 0.0 109.637 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -104.26 172.35 6.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.102 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -61.61 148.55 42.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.747 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -84.11 132.41 34.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.568 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.67 93.22 0.92 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.13 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -83.43 150.48 26.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.772 0.32 . . . . 0.0 110.547 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -125.06 116.15 21.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.125 0.488 . . . . 0.0 110.042 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.14 136.13 37.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.615 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 94.6 mt -82.4 119.49 24.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.543 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -105.44 89.55 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.844 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 32.5 m-70 -109.64 -40.7 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.47 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.4 m170 69.08 157.59 0.15 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.908 0.755 . . . . 0.0 111.261 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -88.29 59.03 5.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.185 0.517 . . . . 0.0 111.282 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -82.61 -28.09 31.04 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 171.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' CG ' ' H ' ' A' ' 105' ' ' HIS . 9.0 t-80 64.5 -165.96 0.23 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.595 177.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.42 ' H ' ' CG ' ' A' ' 104' ' ' HIS . 93.7 m-70 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.115 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HG3' ' OE1' ' A' ' 5' ' ' GLU . 37.5 ttp . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.784 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 5.3 mptp? -77.89 152.63 33.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.021 0.438 . . . . 0.0 111.286 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 6' ' ' LEU . 34.7 tp -65.31 -30.18 71.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.288 173.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -77.17 -13.39 59.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.241 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.784 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 61.3 mt-10 -93.47 -0.72 56.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.411 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 3' ' ' LEU . 43.3 mt -78.95 179.29 7.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 111.856 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.9 157.6 44.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.709 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 111.74 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.337 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.12 -6.2 21.68 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.174 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 152.79 27.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.615 0.245 . . . . 0.0 110.508 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -131.31 124.11 29.75 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.59 163.24 33.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.968 0.414 . . . . 0.0 111.516 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -111.9 128.22 56.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 49.3 t -68.93 125.74 27.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.052 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.466 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 16.3 p -103.67 -20.93 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.756 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.1 t -165.04 136.04 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 110.898 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.682 HG13 HG12 ' A' ' 69' ' ' ILE . 21.5 t -112.38 108.77 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.577 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.27 131.72 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.853 0.359 . . . . 0.0 110.761 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.84 -178.48 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.29 143.45 79.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -45.73 -48.31 12.43 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.495 2.797 . . . . 0.0 113.34 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.78 62.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.79 0.328 . . . . 0.0 111.412 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.63 -40.16 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.201 0.524 . . . . 0.0 110.432 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' MET . 23.2 ttm180 -57.3 -51.68 68.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.478 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -72.4 -26.08 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.102 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 18.8 ttt180 -62.28 -40.62 96.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 ' HG2' ' A' ' 65' ' ' GLU . 84.1 mt -75.07 -38.88 61.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 94.7 mtp -65.55 -40.86 93.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.201 0.524 . . . . 0.0 110.403 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -26.22 66.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.639 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.5 mt -71.17 -41.43 70.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.0 1.28 0.71 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.434 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.54 87.94 7.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.2 m -133.26 -176.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' HA ' ' A' ' 15' ' ' THR . 11.1 ttm180 -64.18 124.66 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.7 -9.03 47.63 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -70.68 113.55 7.89 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -93.96 117.21 29.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 53' ' ' ASN . 2.8 pp -129.05 156.57 43.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.291 0.567 . . . . 0.0 112.13 -173.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -124.38 128.26 48.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.426 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.6 t -72.92 122.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.2 mt -82.49 -65.98 0.94 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.279 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -153.47 163.41 40.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.435 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -107.04 145.28 32.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.332 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.53 163.23 28.24 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 24.4 Cg_endo -61.62 6.11 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.19 2.593 . . . . 0.0 114.078 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -132.59 10.88 4.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 0.0 110.062 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.87 13.78 78.67 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.946 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -168.57 129.09 1.06 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.822 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 90.6 Cg_endo -80.5 -168.13 6.56 Favored 'Cis proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.549 -1.438 . . . . 0.0 113.575 0.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.0 mt -124.89 138.84 52.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.534 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.4 118.06 36.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.2 m -126.83 138.63 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.148 0.499 . . . . 0.0 111.24 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 22.0 t-20 -92.93 101.3 13.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.576 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 48.2 t -105.82 113.24 26.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 65.57 21.4 11.72 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.759 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.87 72.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.473 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.0 ttp -118.29 141.25 48.71 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 112.14 19.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.111 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 54' ' ' CYS . 3.6 mm? -114.03 145.33 41.72 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.2 m -135.14 120.46 19.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.636 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.49 ' CE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -140.96 165.94 26.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -178.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.822 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 11.7 mmm-85 -92.03 165.62 13.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.248 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -63.78 -35.83 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.216 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.03 -28.01 68.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.734 0.302 . . . . 0.0 110.518 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.591 ' HG2' HD11 ' A' ' 27' ' ' LEU . 2.6 mp0 -75.53 -47.87 25.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 171.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.49 ' HB2' ' CE ' ' A' ' 61' ' ' MET . . . -60.2 -29.74 68.92 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 4.3 mm-40 -65.13 -45.33 85.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 175.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.577 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.11 -34.28 85.9 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.568 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 17' ' ' VAL . 53.6 mt -74.33 125.38 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.087 0.47 . . . . 0.0 110.716 -177.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.5 m -113.64 126.32 55.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.19 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.428 HG21 HD11 ' A' ' 6' ' ' LEU . 29.3 m -119.68 157.29 21.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.124 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -109.48 127.0 54.11 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.13 124.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.446 0.641 . . . . 0.0 112.537 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.7 mt -90.89 85.02 5.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.614 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.91 -178.62 6.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.035 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.06 -108.84 3.15 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.375 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -162.88 172.99 14.29 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 69.33 95.32 0.07 Allowed 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.836 0.71 . . . . 0.0 110.627 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.451 ' O ' ' HD3' ' A' ' 81' ' ' PRO . . . -161.29 -157.19 8.65 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -113.34 87.99 12.16 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 79' ' ' GLY . 10.1 Cg_exo -70.25 110.28 2.61 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 123.278 2.652 . . . . 0.0 114.017 -170.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -111.21 -44.73 3.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.002 170.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.33 144.54 17.09 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.916 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -130.79 142.24 44.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.1 -53.99 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.664 2.242 . . . . 0.0 112.514 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.79 -152.61 19.1 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.884 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -127.54 103.92 7.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.747 0.308 . . . . 0.0 110.485 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -82.21 -4.49 57.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.244 0.545 . . . . 0.0 110.205 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.633 ' NE ' ' HA ' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -126.18 133.7 51.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.879 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -142.94 148.48 36.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.152 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 47.6 m80 61.2 -169.38 0.17 Allowed 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.815 0.697 . . . . 0.0 111.498 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.452 HH11 ' HD3' ' A' ' 92' ' ' ARG . 10.8 ptp180 -170.94 31.84 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.632 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 92' ' ' ARG . 91.0 m-85 69.42 177.82 0.26 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.482 -176.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 142.73 -151.91 23.47 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.535 ' N ' ' HD3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -145.12 116.98 8.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.304 0.573 . . . . 0.0 110.471 178.295 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -105.86 98.68 8.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.602 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.03 109.26 12.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.694 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 98' ' ' LEU . 1.2 tm? -86.25 87.09 7.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 174.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.09 151.75 41.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.985 -174.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -80.49 164.0 23.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.2 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -135.76 131.9 36.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.788 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.2 t60 65.3 174.18 0.21 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.735 175.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -111.1 144.27 40.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.322 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 39.9 m80 59.55 -163.91 0.22 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.507 0.504 . . . . 0.0 111.12 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 19.9 t60 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.546 171.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.814 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 9.5 mptt -91.83 153.4 19.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 6' ' ' LEU . 41.9 tp -65.43 -29.84 70.57 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.997 174.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 p -74.19 -15.52 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.405 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.814 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 80.0 mt-10 -88.77 -14.75 36.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.926 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 3' ' ' LEU . 17.1 mt -62.76 167.0 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.374 0.607 . . . . 0.0 111.818 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -111.31 160.54 16.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.951 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.18 104.38 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.916 0.388 . . . . 0.0 110.418 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.39 -5.75 21.28 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.831 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 146.7 29.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.511 . . . . 0.0 111.569 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -111.81 128.48 56.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.878 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.14 167.0 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 112.383 -175.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.642 ' HB2' HD21 ' A' ' 74' ' ' LEU . 4.5 tp10 -111.56 133.45 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.588 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.682 HG23 HD22 ' A' ' 38' ' ' LEU . 85.3 t -77.32 109.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.111 176.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 p -89.17 -41.31 12.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 110.508 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.9 m -154.68 106.26 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.115 0.483 . . . . 0.0 110.655 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.878 HG23 HG12 ' A' ' 69' ' ' ILE . 2.4 p -86.68 109.81 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.252 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.93 140.83 38.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.943 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.67 -176.92 1.33 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 tp10 -58.88 143.13 83.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.54 ' HD2' ' HG3' ' A' ' 20' ' ' GLU . 4.1 Cg_endo -50.08 -43.42 42.42 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.767 2.311 . . . . 0.0 112.34 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -41.44 85.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.484 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -73.36 -44.46 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.327 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 24' ' ' ARG . 19.3 ttp85 -59.61 -42.67 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.055 178.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -57.95 -45.5 86.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.474 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 62.9 ttt180 -65.68 -46.41 79.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.617 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.1 -46.48 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.2 mtp -64.75 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.796 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.89 -30.24 63.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 96.3 mt -71.79 -44.05 64.63 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.19 -9.69 0.44 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.969 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -79.7 89.53 5.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.375 0.607 . . . . 0.0 109.836 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.87 179.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.901 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -66.11 114.92 5.6 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.13 37.46 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.252 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.4 114.12 14.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.66 0.266 . . . . 0.0 110.807 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.65 127.23 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 14' ' ' VAL . 2.5 pt? -137.68 156.86 47.56 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.239 0.542 . . . . 0.0 111.278 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -132.38 132.68 43.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.957 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -73.8 116.0 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.911 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 58' ' ' LEU . 75.2 mt -78.98 -55.48 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.794 -175.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -168.88 163.22 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.435 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -108.26 151.4 26.01 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -67.62 166.02 25.6 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 173.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.1 Cg_endo -59.66 5.28 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 123.295 2.664 . . . . 0.0 114.382 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.03 12.63 4.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 4.92 75.01 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.14 -0.552 . . . . 0.0 111.79 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -160.88 132.24 3.94 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . 85.6 Cg_endo -77.45 -168.21 6.69 Favored 'Cis proline' 0 C--O 1.236 0.383 0 C-N-CA 123.721 -1.366 . . . . 0.0 113.604 1.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.482 HD11 ' HG3' ' A' ' 63' ' ' ARG . 46.9 mt -128.31 139.05 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 -176.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -96.67 123.08 40.25 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.37 140.85 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 111.501 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' A' ' 41' ' ' LEU . 45.4 t-20 -95.85 101.58 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 59' ' ' LEU . 47.5 t -106.09 112.65 25.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.411 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 58.9 29.7 19.2 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.939 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 0.02 63.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.682 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.7 mtm -108.94 138.9 44.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.817 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 41' ' ' LEU . 56.7 mt -95.56 104.47 16.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.924 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -127.8 133.16 49.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.55 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 m -104.48 121.61 43.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.921 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.11 175.96 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.165 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.532 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 3.5 mmm180 -89.88 150.59 22.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.415 -174.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HG3' HD11 ' A' ' 50' ' ' ILE . 57.9 ttt-85 -62.99 -32.49 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.053 -175.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.677 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 4.2 mm-40 -73.58 -40.8 63.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.701 . . . . 0.0 109.253 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 69' ' ' ILE . . . -66.1 -25.24 66.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.802 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.97 -43.91 97.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.076 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.85 -30.54 76.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.331 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.878 HG12 HG23 ' A' ' 17' ' ' VAL . 51.2 mt -74.46 117.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -98.32 123.34 42.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.865 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.7 m -126.1 164.74 25.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.699 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -131.46 126.84 36.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.7 mt -61.2 129.41 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 13' ' ' GLU . 83.8 mt -82.0 84.86 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.945 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.99 179.95 8.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.67 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.93 -161.62 30.9 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.86 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -81.26 99.54 8.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.993 0.425 . . . . 0.0 110.056 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 108.15 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.688 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.83 33.44 0.39 Allowed Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -136.99 153.97 75.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.73 83.5 0.23 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.308 2.005 . . . . 0.0 111.468 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 80.9 t60 57.59 85.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.59 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.72 22.52 33.16 Favored Glycine 0 CA--C 1.517 0.158 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.712 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -112.36 150.88 43.25 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 122.747 -0.267 . . . . 0.0 110.885 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.06 120.22 8.0 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.003 2.469 . . . . 0.0 112.212 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.07 -146.49 18.83 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.036 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' O ' ' HD2' ' A' ' 88' ' ' ARG . 25.9 p90 -159.63 112.94 2.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.849 0.357 . . . . 0.0 110.465 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HD2' ' O ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -128.66 101.56 6.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.358 0.599 . . . . 0.0 111.172 178.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -138.59 81.75 1.87 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -108.71 8.18 26.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.328 -169.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -77.34 71.68 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 0.0 110.773 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -165.86 103.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.154 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -96.5 -45.61 6.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.708 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.92 139.23 5.69 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.309 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -145.1 108.89 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -82.23 125.24 30.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.272 0.558 . . . . 0.0 112.193 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.84 119.67 38.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 171.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.94 94.33 2.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.408 0.623 . . . . 0.0 111.372 -178.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -139.67 79.8 1.74 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.75 0.786 . . . . 0.0 110.67 178.783 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -73.52 -68.03 0.54 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.001 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 63.54 105.09 0.03 OUTLIER 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.985 0.803 . . . . 0.0 111.236 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -117.58 152.83 34.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.97 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -136.81 169.92 16.94 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -140.59 159.49 42.08 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.178 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 20.9 t60 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.529 -0.748 . . . . 0.0 109.68 -176.241 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.887 0.375 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.873 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -84.58 155.08 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -175.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 6' ' ' LEU . 36.1 tp -65.7 -31.54 72.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.75 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 7.1 p -76.34 -14.47 60.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.766 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.873 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 91.6 mt-10 -87.31 -6.67 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 3' ' ' LEU . 76.2 mt -72.26 164.69 25.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.73 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -132.62 31.82 3.94 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.47 136.85 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.59 0.756 . . . . 0.0 112.065 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.06 -7.82 76.21 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.871 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 23.5 m-20 -79.76 134.68 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.177 0.191 . . . . 0.0 110.995 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.14 119.6 39.08 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -134.54 142.71 47.08 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.455 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' OE1' ' HE2' ' A' ' 37' ' ' LYS . 35.6 tt0 -91.58 131.79 36.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.273 174.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 86.0 t -79.49 115.28 21.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.127 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.427 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 14.7 p -97.87 -34.46 10.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.406 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -154.03 146.09 23.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.734 HG13 HG12 ' A' ' 69' ' ' ILE . 41.7 t -125.7 113.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.497 -177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.58 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -104.9 118.45 36.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.35 177.39 11.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.365 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.53 141.53 97.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.03 -46.66 15.69 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.385 2.723 . . . . 0.0 113.664 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.69 -39.66 57.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.91 0.386 . . . . 0.0 111.097 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.15 -37.7 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.87 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -57.68 -47.6 81.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.828 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -66.72 -32.34 73.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.513 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 79.1 ttt180 -63.52 -42.88 98.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.104 0.478 . . . . 0.0 109.807 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.16 -45.61 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.169 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.4 mtp -62.38 -44.92 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.838 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.52 -41.12 72.7 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.365 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 93.9 mt -69.01 -37.37 78.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.81 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 0.68 1.0 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.188 177.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -82.87 90.97 7.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.172 0.511 . . . . 0.0 109.911 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -135.71 -176.56 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.415 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 37.2 ttm180 -68.21 129.51 40.14 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.736 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.31 -14.59 54.72 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.78 132.98 46.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.545 ' HE2' ' OE1' ' A' ' 13' ' ' GLU . 86.3 mttt -123.98 117.52 24.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.368 0.604 . . . . 0.0 109.602 -175.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.563 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.1 pp -123.14 164.9 17.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.956 -169.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 30.0 ttpt -122.03 128.06 50.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.47 172.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.616 ' HA ' HG12 ' A' ' 52' ' ' VAL . 66.3 t -68.59 118.41 12.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.098 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.84 -61.65 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.632 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -167.12 163.52 15.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.03 0.443 . . . . 0.0 110.397 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -106.59 146.92 30.09 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -64.41 165.39 14.47 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 20.5 Cg_endo -60.76 5.46 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.097 2.531 . . . . 0.0 114.299 -176.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -134.17 11.4 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.786 0.327 . . . . 0.0 110.692 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.45 -6.81 71.05 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.348 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.92 134.63 9.71 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -80.08 -173.35 12.49 Favored 'Cis proline' 0 C--O 1.237 0.43 0 C-N-CA 123.895 -1.294 . . . . 0.0 113.066 1.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.9 mt -121.49 135.84 60.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.193 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.51 124.63 50.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.6 m -134.38 149.53 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.69 101.69 11.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.563 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 42.3 t -105.18 109.35 21.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.93 -176.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 61.79 30.61 18.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.551 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -6.68 67.33 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.446 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -99.03 128.69 45.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 0.0 110.488 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.72 109.92 22.13 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -135.03 139.55 44.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 111.453 -176.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.3 m -110.78 129.13 55.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.148 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.14 176.82 8.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.53 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -84.01 151.88 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -57.67 -29.62 64.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.889 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -54.65 -44.04 72.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.562 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.6 mp0 -72.47 -40.9 66.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.779 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' A' ' 4' ' ' SER . . . -62.98 -31.51 72.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.45 -177.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 27.1 mm-40 -62.04 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.202 0.525 . . . . 0.0 110.381 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.58 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.52 -34.17 83.52 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.927 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HG13 ' A' ' 17' ' ' VAL . 57.7 mt -74.09 123.17 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.113 0.483 . . . . 0.0 111.026 -176.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -100.66 122.03 42.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.584 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.503 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 26.8 m -122.01 161.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -176.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -127.2 117.29 22.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.45 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.66 127.49 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.939 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.8 mt -82.76 59.98 5.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 110.89 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -179.28 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.675 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.37 149.25 19.21 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.12 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 t70 62.92 -159.05 0.32 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.25 0.62 . . . . 0.0 110.678 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.45 129.61 34.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.653 0.263 . . . . 0.0 110.497 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.97 165.93 21.09 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.92 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -94.57 155.43 39.55 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -47.74 -55.3 4.11 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.65 2.9 . . . . 0.0 113.369 -175.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -102.37 83.98 2.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.099 0.476 . . . . 0.0 110.535 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.05 -77.17 0.88 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 8.3 m95 71.02 150.32 0.13 Allowed Pre-proline 0 N--CA 1.461 0.081 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.01 -20.3 25.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.614 2.209 . . . . 0.0 112.071 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.31 -112.13 3.5 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.983 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -113.32 136.04 53.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.835 0.35 . . . . 0.0 110.406 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -101.23 106.32 17.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.298 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -108.33 103.95 13.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -149.89 100.5 2.95 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.799 -171.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -158.46 127.97 5.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.31 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -167.15 -18.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -79.67 103.14 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.487 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -138.42 44.05 1.14 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -105.4 93.14 4.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.738 0.304 . . . . 0.0 110.185 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.433 ' H ' ' NE ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -86.92 126.23 34.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.66 119.24 12.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.47 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 1.8 pt? -153.53 110.16 3.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.624 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -92.15 134.33 34.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.668 -176.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -125.79 111.18 14.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.883 0.373 . . . . 0.0 111.007 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 44.2 t-80 -142.24 169.21 18.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 176.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 101' ' ' HIS . 89.5 m-70 68.68 89.03 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.814 0.696 . . . . 0.0 110.626 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -146.05 85.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.138 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 44.48 80.6 0.04 OUTLIER 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.175 0.922 . . . . 0.0 112.425 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.191 178.645 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HA ' ' OE1' ' A' ' 5' ' ' GLU . 26.8 ttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.944 0.402 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -91.79 157.61 16.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.225 -171.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 6' ' ' LEU . 27.8 tp -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.61 0.719 . . . . 0.0 109.2 169.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 4.7 t -74.71 -12.52 60.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.072 175.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 51.6 tt0 -99.33 0.34 42.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.936 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 3' ' ' LEU . 71.7 mt -79.45 172.02 14.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 176.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -115.51 159.18 21.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.327 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 102.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 110.286 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.4 -12.31 7.97 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.724 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.92 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.098 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -130.24 127.93 40.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.632 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.68 165.76 30.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.692 0.282 . . . . 0.0 111.283 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 8.6 pt-20 -107.84 145.87 33.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.615 HG11 HG22 ' A' ' 17' ' ' VAL . 74.2 t -81.11 119.34 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.949 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.9 p -92.06 -30.98 15.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -154.58 136.67 14.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.766 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.615 HG22 HG11 ' A' ' 14' ' ' VAL . 20.6 t -111.11 108.72 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.506 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -106.28 117.73 34.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 110.158 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.91 172.49 13.91 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 4.2 tm-20 -61.18 140.79 94.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 2.1 Cg_endo -49.39 -40.14 44.3 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.886 2.39 . . . . 0.0 113.022 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.42 82.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.046 0.451 . . . . 0.0 110.797 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.647 HG11 ' HG3' ' A' ' 65' ' ' GLU . 84.8 t -69.47 -40.28 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.133 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.35 -47.16 82.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.993 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -58.03 -43.47 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -65.79 -38.45 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.964 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 83.5 mt -69.77 -44.07 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.904 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.6 mtp -62.25 -32.99 73.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.836 175.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -89.05 15.88 7.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.875 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.83 12.41 83.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.011 -0.614 . . . . 0.0 113.052 174.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tt -87.95 87.92 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.329 0.585 . . . . 0.0 109.543 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.33 -173.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.324 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -70.15 118.11 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.018 0.437 . . . . 0.0 110.36 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.95 -4.06 52.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.903 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.59 119.76 16.21 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.155 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 38.7 mttp -98.86 122.45 42.11 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.9 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' H ' HD23 ' A' ' 38' ' ' LEU . 2.4 pt? -133.78 155.08 50.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.35 0.595 . . . . 0.0 111.388 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -114.27 127.47 55.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.891 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.66 110.72 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 53' ' ' ASN . 86.0 mt -79.92 -62.02 1.81 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.939 -174.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -154.67 150.04 27.22 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.064 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -101.26 148.39 25.17 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 168.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -63.56 161.28 36.46 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 23.4 Cg_endo -60.95 5.56 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.992 2.461 . . . . 0.0 113.918 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 44' ' ' ALA . 64.8 mt -131.69 12.14 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.759 0.314 . . . . 0.0 110.38 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.38 -14.07 52.29 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.405 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.63 138.11 12.46 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -81.01 -169.91 8.05 Favored 'Cis proline' 0 C--O 1.235 0.372 0 C-N-CA 124.016 -1.243 . . . . 0.0 112.896 -0.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.732 HD11 ' HG3' ' A' ' 63' ' ' ARG . 43.3 mt -121.28 138.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.293 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -105.75 114.04 27.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.066 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.435 ' HB ' HD12 ' A' ' 38' ' ' LEU . 21.8 m -120.76 144.26 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.167 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.437 ' HB2' HD11 ' A' ' 41' ' ' LEU . 39.7 t30 -101.84 100.86 11.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.524 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.03 119.44 38.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.88 27.98 16.9 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.045 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.29 16.22 59.35 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 mtm -123.46 132.4 53.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.87 102.14 13.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.201 0.524 . . . . 0.0 110.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.33 126.67 54.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.068 -177.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.4 m -101.41 121.24 41.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.684 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -139.39 169.88 16.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.574 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -75.29 147.01 40.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 110.955 -174.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.732 ' HG3' HD11 ' A' ' 50' ' ' ILE . 64.4 ttt180 -65.28 -30.59 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.715 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -60.01 -40.65 89.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.647 ' HG3' HG11 ' A' ' 23' ' ' VAL . 11.9 mm-40 -75.68 -31.09 59.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.389 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 4' ' ' SER . . . -61.73 -26.71 68.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.297 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -64.34 -44.71 90.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.616 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.11 -26.59 72.47 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.172 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.54 HG12 HG13 ' A' ' 17' ' ' VAL . 50.1 mt -74.84 115.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.187 0.517 . . . . 0.0 110.399 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -94.74 133.4 38.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.596 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.518 HG21 HD11 ' A' ' 6' ' ' LEU . 27.4 m -129.13 167.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.635 0.731 . . . . 0.0 112.214 -174.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -133.47 120.37 20.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.185 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' HE1' ' A' ' 1' ' ' MET . 61.3 mt -66.97 126.95 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.122 0.487 . . . . 0.0 111.48 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt -99.23 65.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.572 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.65 97.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.302 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.94 120.16 0.9 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.451 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -88.06 162.28 16.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 64.77 93.1 0.06 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.753 0.658 . . . . 0.0 111.402 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 158.45 -45.89 0.46 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.067 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 63.55 85.38 0.17 Allowed Pre-proline 0 N--CA 1.465 0.292 0 CA-C-O 121.057 0.456 . . . . 0.0 110.139 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.09 146.8 83.01 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.979 2.453 . . . . 0.0 112.602 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -90.1 102.14 14.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.813 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.17 -164.54 30.29 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.26 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.28 143.94 20.22 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -67.02 -28.05 41.91 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.506 2.137 . . . . 0.0 111.993 177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.53 -156.59 32.02 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.691 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -129.97 161.03 31.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.819 0.343 . . . . 0.0 110.546 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -120.99 129.0 53.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.877 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -61.32 132.98 55.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -82.43 96.46 7.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.96 0.409 . . . . 0.0 110.085 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -74.28 134.11 42.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.611 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -73.22 145.37 46.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.758 0.313 . . . . 0.0 110.534 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -112.41 121.16 44.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.499 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.13 148.33 18.76 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.49 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -99.13 156.5 16.92 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -94.54 153.09 18.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.689 0.28 . . . . 0.0 110.472 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.55 160.3 14.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.607 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.6 mt -83.35 155.42 23.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.921 0.391 . . . . 0.0 110.592 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.49 124.57 32.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.637 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -108.34 155.28 20.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.592 ' CD2' ' H ' ' A' ' 102' ' ' HIS . 2.9 t60 68.3 -172.46 0.19 Allowed 'General case' 0 CA--C 1.538 0.505 0 O-C-N 123.953 0.783 . . . . 0.0 110.536 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.592 ' H ' ' CD2' ' A' ' 101' ' ' HIS . 72.6 m80 67.5 21.19 9.64 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.05 0.54 . . . . 0.0 111.229 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.422 ' CD2' ' HD2' ' A' ' 104' ' ' HIS . 63.2 t60 -111.94 103.62 11.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.422 ' HD2' ' CD2' ' A' ' 103' ' ' HIS . 92.2 m-70 63.31 -166.73 0.22 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.49 -174.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.77 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.86 0.362 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.666 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -92.87 157.48 16.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.097 0.475 . . . . 0.0 112.172 -176.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 6' ' ' LEU . 29.3 tp -66.28 -34.83 78.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.034 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 66' ' ' ALA . 55.4 m -74.89 -13.46 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.639 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.666 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 59.3 mt-10 -88.11 -3.93 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.091 0.472 . . . . 0.0 110.442 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 3' ' ' LEU . 76.4 mt -79.1 178.1 8.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.76 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -123.68 159.76 28.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.328 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.31 109.77 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.461 . . . . 0.0 110.147 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.3 -21.67 6.8 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.699 -175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -79.34 142.44 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 111.154 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' HB3' HD12 ' A' ' 74' ' ' LEU . 80.0 mtm180 -108.6 147.39 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.206 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 71' ' ' VAL . . . -149.27 161.43 42.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.896 0.379 . . . . 0.0 111.565 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HB2' HD21 ' A' ' 74' ' ' LEU . 39.1 tt0 -113.03 125.31 54.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.95 121.95 20.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.729 0.299 . . . . 0.0 111.015 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 p -98.1 -36.52 10.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -158.84 137.14 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.877 HG23 HG12 ' A' ' 69' ' ' ILE . 6.1 p -117.08 135.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.532 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.569 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -133.85 114.5 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.143 0.496 . . . . 0.0 110.711 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB1' ' OE2' ' A' ' 65' ' ' GLU . . . -154.35 -178.75 7.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.58 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.46 143.87 95.79 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.43 -48.81 18.6 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.894 2.396 . . . . 0.0 112.673 -174.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.53 83.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.52 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.758 HG11 ' HG3' ' A' ' 65' ' ' GLU . 74.3 t -75.42 -39.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.152 0.501 . . . . 0.0 110.174 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.36 -48.29 82.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.11 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.79 -37.32 84.32 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.605 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.587 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 70.9 mtt85 -55.69 -43.34 76.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.354 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.45 -41.46 89.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.506 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.0 mtp -65.69 -37.66 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.896 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -74.25 -33.01 63.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 80.5 mt -66.97 -41.02 87.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.99 18.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.892 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -104.02 93.5 4.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.155 0.502 . . . . 0.0 109.951 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.56 -173.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.566 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -71.31 127.94 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.81 -0.77 67.63 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.862 -177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -76.03 127.76 33.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 110.386 176.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HB3' HD11 ' A' ' 74' ' ' LEU . 91.5 mttt -102.03 127.09 49.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.854 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD12 ' HB ' ' A' ' 52' ' ' VAL . 2.1 pt? -138.6 154.46 48.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -176.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -112.97 130.1 56.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.422 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.628 ' HA ' HG12 ' A' ' 52' ' ' VAL . 58.4 t -70.8 116.37 12.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 53' ' ' ASN . 85.8 mt -86.51 -65.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.29 -174.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -149.78 156.36 41.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 110.844 -175.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.88 147.75 28.37 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 172.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -67.6 165.35 30.94 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 175.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 16.7 Cg_endo -58.27 5.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.222 2.615 . . . . 0.0 114.182 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.4 mt -132.8 7.32 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.906 0.384 . . . . 0.0 110.373 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.45 2.85 69.53 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.72 127.69 3.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.76 -171.92 10.47 Favored 'Cis proline' 0 CA--C 1.534 0.493 0 C-N-CA 124.241 -1.149 . . . . 0.0 113.836 2.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.4 mt -124.19 139.55 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.85 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -106.26 122.46 46.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 40' ' ' VAL . 19.5 m -128.84 142.03 45.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.818 0.342 . . . . 0.0 111.068 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.571 ' HB2' HD11 ' A' ' 41' ' ' LEU . 54.3 t-20 -97.11 103.36 15.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.427 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 48.5 t -111.04 116.46 31.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.77 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 60.87 25.33 15.26 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.06 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.16 62.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.428 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 mtm -115.64 126.58 54.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.797 0.332 . . . . 0.0 110.215 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 58' ' ' LEU . 6.6 mp -84.06 113.49 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.884 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 30' ' ' LEU . 1.1 mt -112.8 135.38 53.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.558 -175.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.3 m -112.63 126.31 55.23 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.436 ' HE2' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -147.52 167.83 23.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.344 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -77.9 143.7 37.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -173.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 3.9 ttt85 -57.41 -36.75 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.406 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.598 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 2.0 p-10 -58.42 -32.65 68.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.758 ' HG3' HG11 ' A' ' 23' ' ' VAL . 4.3 mm-40 -76.07 -36.29 59.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.274 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 69' ' ' ILE . . . -62.99 -31.35 72.46 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 176.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.598 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 47.9 mt-10 -65.34 -35.58 81.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.089 0.471 . . . . 0.0 110.118 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.72 -20.28 73.99 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.786 173.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.877 HG12 HG23 ' A' ' 17' ' ' VAL . 70.7 mt -87.37 127.43 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.344 0.592 . . . . 0.0 111.459 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -103.63 124.17 48.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.573 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.483 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 30.2 m -127.79 159.3 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 0.0 111.506 -176.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -116.83 119.47 35.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.5 mt -60.24 136.83 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.594 -174.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 11' ' ' ARG . 86.6 mt -78.92 72.92 5.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.032 177.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -175.01 -174.08 0.74 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.089 -178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 124.38 120.45 2.5 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.069 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.51 129.68 36.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.115 0.483 . . . . 0.0 110.696 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.78 -24.96 67.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.882 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.49 -1.42 90.11 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.791 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -120.76 86.09 40.32 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 116.794 0.297 . . . . 0.0 110.754 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.38 92.14 0.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.014 2.476 . . . . 0.0 112.02 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -117.1 102.89 9.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.442 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.28 162.37 18.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.735 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.59 143.28 28.9 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.852 0.326 . . . . 0.0 110.211 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.83 -168.24 0.53 Allowed 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.962 2.441 . . . . 0.0 112.937 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 172.23 143.73 4.24 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.113 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -123.17 -69.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 61.07 36.52 18.36 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.054 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -79.28 96.96 6.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -84.64 135.24 34.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.635 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -62.21 150.57 38.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.09 0.472 . . . . 0.0 111.142 -176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -116.98 -164.39 0.98 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.755 -175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.0 t80 65.96 86.86 0.13 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.743 0.652 . . . . 0.0 110.082 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -133.53 158.9 23.45 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.686 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' O ' ' HD2' ' A' ' 96' ' ' ARG . 62.9 mttp -76.17 132.7 40.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.093 0.473 . . . . 0.0 111.217 -175.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.539 ' HD2' ' O ' ' A' ' 95' ' ' LYS . 3.3 mpt_? -127.33 118.37 24.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.208 172.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.94 20.1 3.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.016 0.436 . . . . 0.0 110.535 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.69 105.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.529 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -111.35 88.63 2.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.12 0.486 . . . . 0.0 110.672 -176.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -119.45 166.13 13.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.536 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 65.99 71.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.824 0.703 . . . . 0.0 110.952 -175.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -90.01 7.36 38.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.318 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.4 m80 70.39 -173.51 0.18 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.621 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 65.82 36.16 6.29 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 62.5 m80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.692 -176.51 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.711 0.291 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.697 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 2.4 mppt? -94.27 159.75 14.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.886 0.374 . . . . 0.0 111.473 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 6' ' ' LEU . 54.9 tp -65.43 -30.86 71.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.836 174.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.2 p -76.57 -11.14 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.116 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.697 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -90.2 -10.47 44.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.158 0.504 . . . . 0.0 109.838 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 3' ' ' LEU . 74.6 mt -75.77 172.01 13.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.908 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -122.76 169.87 10.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.96 111.82 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.073 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.18 -14.3 33.62 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.373 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HA ' HH21 ' A' ' 11' ' ' ARG . 2.3 m-20 -74.57 132.4 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.142 0.496 . . . . 0.0 111.086 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.79 138.19 40.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.586 -178.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.88 162.88 40.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.096 0.474 . . . . 0.0 111.795 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.727 ' HB2' HD21 ' A' ' 74' ' ' LEU . 41.2 tt0 -111.45 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.256 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.707 ' HA ' HG12 ' A' ' 71' ' ' VAL . 66.5 t -76.41 113.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.288 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.478 HG23 ' CE1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -90.07 -26.45 20.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.172 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -165.77 154.03 11.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG13 HG12 ' A' ' 69' ' ' ILE . 50.0 t -126.86 109.97 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.018 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.502 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.42 102.52 14.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 177.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.48 174.54 14.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.386 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.0 tm-20 -57.65 141.99 78.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 123.962 0.788 . . . . 0.0 108.986 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.594 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 3.2 Cg_exo -44.35 -51.12 7.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.302 2.668 . . . . 0.0 113.169 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' OE1' ' A' ' 20' ' ' GLU . . . -69.9 -44.13 70.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.453 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 79.1 t -63.89 -42.67 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.201 0.524 . . . . 0.0 110.236 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -61.17 -52.13 66.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.889 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -72.1 -25.88 61.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 40.4 ttt-85 -64.67 -46.52 82.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 92.3 mt -62.6 -41.65 99.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.63 ' HB3' HG12 ' A' ' 33' ' ' VAL . 47.4 mtm -63.0 -37.96 89.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.753 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.23 -33.45 76.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.757 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 95.2 mt -71.86 -33.65 68.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.439 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.18 -3.31 1.45 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.812 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' A' ' 28' ' ' MET . 3.2 tt -94.56 83.84 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 0.0 109.967 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG12 ' HB3' ' A' ' 28' ' ' MET . 33.2 m -109.65 178.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.263 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -72.44 115.19 11.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 0.58 37.12 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.886 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.86 146.0 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.3 . . . . 0.0 110.726 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -114.83 127.7 55.87 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' HB3' ' HA ' ' A' ' 54' ' ' CYS . 2.6 pp -142.54 169.71 17.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.662 0.744 . . . . 0.0 112.799 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 11' ' ' ARG . 35.9 ttpt -130.84 132.42 45.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.236 172.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG12 ' A' ' 52' ' ' VAL . 60.1 t -69.61 119.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.5 mt -81.16 -64.43 1.19 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.531 -177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -151.33 152.31 32.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.457 0.646 . . . . 0.0 111.117 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -107.21 131.13 54.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 168.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -57.33 159.08 9.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 123.169 0.293 . . . . 0.0 110.23 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.477 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 25.0 Cg_endo -60.94 6.55 0.12 Allowed 'Trans proline' 0 N--CA 1.479 0.627 0 C-N-CA 123.374 2.716 . . . . 0.0 113.83 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 44' ' ' ALA . 80.0 mt -132.28 13.65 4.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.909 0.385 . . . . 0.0 110.102 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.61 14.29 72.25 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.463 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -174.63 132.83 0.5 Allowed Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.86 -175.43 16.38 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.567 -1.43 . . . . 0.0 113.144 1.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.7 mt -120.69 135.12 61.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.119 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -111.12 124.78 52.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.43 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 40' ' ' VAL . 28.7 m -132.2 146.51 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.745 0.307 . . . . 0.0 111.039 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -97.87 104.33 16.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 38' ' ' LEU . 49.1 t -108.82 110.49 21.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.944 -175.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.89 28.94 16.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.81 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.91 -4.56 65.72 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.926 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -106.41 123.29 47.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.833 0.349 . . . . 0.0 110.065 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.21 107.87 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mt -105.74 150.91 25.08 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.65 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.7 m -133.87 120.41 20.39 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.626 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.51 178.85 6.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.933 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -89.18 158.92 17.72 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.087 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -52.88 -40.67 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.531 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 3.5 p-10 -64.33 -30.61 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 -177.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 69' ' ' ILE . 65.0 mm-40 -71.28 -39.49 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.413 . . . . 0.0 109.996 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.5 -27.17 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.929 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 64' ' ' ASN . 49.7 mt-10 -65.56 -38.12 88.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 174.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.6 -36.28 87.73 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.556 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.699 HG12 HG13 ' A' ' 17' ' ' VAL . 52.8 mt -74.71 120.37 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.164 0.507 . . . . 0.0 111.215 -175.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -100.93 128.9 46.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.455 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 14' ' ' VAL . 33.2 m -136.17 160.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 0.0 111.229 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.478 ' CE1' HG23 ' A' ' 15' ' ' THR . 22.9 p-80 -120.51 130.93 54.47 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 171.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.64 133.2 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 111.696 -174.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 13' ' ' GLU . 93.6 mt -77.51 78.21 4.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -166.96 -23.84 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.406 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.45 119.79 2.74 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.894 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.627 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 20.9 t70 -118.06 151.85 36.71 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -84.95 -2.12 57.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -173.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.03 82.23 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 119.997 -1.096 . . . . 0.0 112.929 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.627 ' CD2' ' HB3' ' A' ' 77' ' ' ASP . 5.9 p80 -121.05 85.36 40.82 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 121.421 0.629 . . . . 0.0 110.155 176.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -93.12 107.42 0.18 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 123.177 2.585 . . . . 0.0 112.514 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.413 ' CD2' HG22 ' A' ' 15' ' ' THR . 46.7 t-80 -82.42 90.78 6.75 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -135.87 75.06 0.41 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.265 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -100.56 144.46 28.52 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.215 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 22.5 Cg_exo -66.76 -164.63 0.09 OUTLIER 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.884 2.39 . . . . 0.0 112.49 175.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -136.35 146.7 18.68 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -84.17 118.37 24.09 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -103.69 148.44 26.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.254 0.55 . . . . 0.0 111.269 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.08 -176.79 4.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.897 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -87.96 169.45 11.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.937 0.399 . . . . 0.0 110.743 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -94.74 31.68 1.77 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.737 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 69.4 -69.47 0.16 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.967 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.7 t80 57.6 76.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.69 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.64 160.26 28.26 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -110.65 -60.24 1.84 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.021 0.41 . . . . 0.0 110.982 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 59.05 79.84 0.21 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.046 -174.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.82 143.05 26.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.985 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.3 mp -128.14 128.84 45.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.777 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' A' ' 99' ' ' GLU . 1.3 pm0 -88.13 175.49 7.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.548 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -145.07 126.82 15.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.11 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -77.92 162.76 26.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.1 t60 67.41 98.72 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.776 0.672 . . . . 0.0 110.4 -174.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -142.72 162.8 34.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.673 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 66.09 93.16 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.951 0.782 . . . . 0.0 110.971 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.7 t60 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.779 177.646 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.648 ' HE1' HD11 ' A' ' 73' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.742 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 4.4 mptp? -76.41 151.03 36.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.052 0.454 . . . . 0.0 111.597 -173.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 6' ' ' LEU . 16.9 tp -65.67 -30.16 70.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.417 173.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.1 t -69.3 -22.69 63.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.979 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.742 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 53.4 mt-10 -89.77 -2.91 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.383 . . . . 0.0 111.169 -177.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 71' ' ' VAL . 34.0 mt -76.33 165.83 24.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 34.8 mtmt -119.05 161.12 20.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.802 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.34 118.02 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.888 0.375 . . . . 0.0 110.64 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.11 -12.21 52.19 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.431 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.512 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 1.1 m-20 -79.97 141.6 35.84 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HG2' HD12 ' A' ' 74' ' ' LEU . 51.9 ttt180 -124.55 131.09 53.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.32 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -141.87 176.48 8.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.0 tt0 -121.37 133.66 55.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.765 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 HD22 ' A' ' 38' ' ' LEU . 58.0 t -72.27 112.14 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -89.73 -37.64 14.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 m -154.65 116.87 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.17 0.51 . . . . 0.0 110.773 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.889 HG23 HG12 ' A' ' 69' ' ' ILE . 2.4 p -97.22 109.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.28 0.562 . . . . 0.0 110.28 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.63 172.3 17.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.466 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 149.03 98.7 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.434 0.459 . . . . 0.0 109.948 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -46.5 -43.29 22.55 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.825 3.016 . . . . 0.0 113.853 -172.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.43 -49.08 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.146 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.79 -39.49 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 110.597 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' MET . 24.0 ttm180 -57.5 -51.89 67.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.785 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.719 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 99.4 mtt180 -69.77 -35.54 75.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.153 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -41.67 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 89.6 mtp -57.95 -42.44 84.97 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.67 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.09 -31.73 70.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.835 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.84 6.22 25.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.809 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.87 -2.92 55.69 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.067 175.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 28' ' ' MET . 4.9 tt -88.32 85.82 6.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.436 0.636 . . . . 0.0 109.449 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 26.8 m -121.1 -177.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.119 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -72.08 120.36 17.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.98 0.39 56.17 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.887 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' SG ' ' A' ' 54' ' ' CYS . . . -76.47 126.34 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.774 0.321 . . . . 0.0 111.206 178.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -93.12 128.32 39.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.856 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.473 HD22 HG23 ' A' ' 14' ' ' VAL . 2.3 pt? -139.3 147.63 41.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.437 . . . . 0.0 111.044 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -115.6 132.01 56.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.406 174.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.733 ' HA ' HG12 ' A' ' 52' ' ' VAL . 62.1 t -70.73 119.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 53' ' ' ASN . 97.6 mt -89.52 -64.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.291 -175.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -151.71 160.46 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.145 -173.106 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -117.16 154.49 30.99 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.57 163.17 69.13 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 172.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.32 5.66 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.99 2.46 . . . . 0.0 113.517 -176.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.0 mt -132.8 14.07 4.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.781 0.324 . . . . 0.0 110.591 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.11 2.09 81.86 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.626 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -161.62 135.8 5.09 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.51 179.21 29.64 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.548 -1.438 . . . . 0.0 113.312 1.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 54.9 mt -115.3 139.03 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.48 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.4 126.77 55.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.781 0.324 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.733 HG12 ' HA ' ' A' ' 40' ' ' VAL . 29.7 m -132.44 156.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -177.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' HB2' HD11 ' A' ' 41' ' ' LEU . 30.9 t30 -106.22 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 175.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.511 ' SG ' ' HB1' ' A' ' 36' ' ' ALA . 51.0 t -113.67 123.89 50.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.41 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 62.65 20.34 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.112 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.75 16.01 60.57 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.716 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' HD23 ' A' ' 59' ' ' LEU . 33.0 ttm -117.1 129.46 56.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.42 102.43 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.082 0.468 . . . . 0.0 109.962 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -119.82 149.5 41.96 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.038 -174.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.4 m -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.25 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.5 ptm -138.78 171.47 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -177.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 9.3 mmt180 -95.49 149.84 20.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -172.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 23.0 ttt180 -61.83 -41.9 98.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.436 177.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -60.44 -31.46 70.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.389 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' O ' HG13 ' A' ' 69' ' ' ILE . 56.0 mm-40 -75.34 -38.39 60.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 109.693 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.86 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.526 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 23.3 mm-40 -62.5 -47.32 84.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.23 0.538 . . . . 0.0 109.635 173.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.49 -31.26 78.24 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.541 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.889 HG12 HG23 ' A' ' 17' ' ' VAL . 63.4 mt -75.91 119.68 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.297 0.57 . . . . 0.0 111.224 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -103.97 125.58 50.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.713 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 6' ' ' LEU . 29.9 m -116.81 157.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.266 -175.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -118.49 123.94 46.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.868 175.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.648 HD11 ' HE1' ' A' ' 1' ' ' MET . 27.0 mm -64.12 130.9 29.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.118 0.485 . . . . 0.0 112.12 -173.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 13' ' ' GLU . 94.9 mt -78.82 76.03 5.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.08 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.76 -178.08 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.22 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.2 -34.55 5.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.409 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 71.33 -18.03 0.3 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -67.24 -31.99 72.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.893 0.378 . . . . 0.0 110.513 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.5 -109.95 3.38 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.667 176.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.3 m80 65.39 85.83 0.15 Allowed Pre-proline 0 C--O 1.233 0.225 0 O-C-N 124.098 0.528 . . . . 0.0 110.921 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.63 129.24 28.56 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.733 2.288 . . . . 0.0 111.835 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -76.52 85.85 3.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.6 -170.65 13.38 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -176.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.573 ' CD2' ' HD2' ' A' ' 85' ' ' PRO . 74.1 t-105 -105.36 141.46 22.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.855 0.328 . . . . 0.0 110.189 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 84' ' ' TRP . 74.2 Cg_endo -77.99 143.36 20.45 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.809 2.339 . . . . 0.0 112.3 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.63 50.31 0.27 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.441 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -132.47 103.74 6.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.053 0.454 . . . . 0.0 110.069 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -154.07 128.74 9.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.384 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -151.96 94.26 1.94 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.612 0.72 . . . . 0.0 111.568 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' C ' ' HD3' ' A' ' 90' ' ' ARG . 1.7 tmt_? -122.69 91.23 3.45 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -121.37 93.59 4.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.151 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -155.68 82.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -104.11 135.02 46.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.258 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -117.3 -76.56 0.58 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.458 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.52 138.69 39.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.382 0.61 . . . . 0.0 111.841 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' A' ' 97' ' ' ALA . 30.5 ptt180 -150.63 -13.14 0.24 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.394 175.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' A' ' 96' ' ' ARG . . . -87.74 97.74 11.06 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.4 mt -99.92 17.47 20.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.842 -172.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 67.53 -177.05 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.727 0.642 . . . . 0.0 110.843 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -122.37 71.73 1.03 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -99.42 103.34 15.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.75 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -154.03 101.6 2.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.921 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -143.36 130.4 20.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.073 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -164.01 141.92 7.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.056 0.455 . . . . 0.0 110.435 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.2 p80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.486 176.565 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.909 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 13.3 mptt -76.15 152.91 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.976 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 6' ' ' LEU . 37.6 tp -65.39 -29.62 70.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.398 173.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 15.1 p -78.31 -8.1 58.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.629 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.909 ' HG3' ' HB2' ' A' ' 2' ' ' LYS . 43.8 mt-10 -92.31 -8.75 44.24 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 3' ' ' LEU . 75.8 mt -69.06 163.75 24.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.26 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HG3' ' OD2' ' A' ' 10' ' ' ASP . 2.5 pptp? -130.55 32.96 4.34 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -170.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.482 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . 68.67 135.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.467 0.651 . . . . 0.0 112.129 175.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 7.22 84.38 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.455 ' OD2' ' HG3' ' A' ' 7' ' ' LYS . 66.1 m-20 -102.23 132.58 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.073 -0.563 . . . . 0.0 110.355 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 11' ' ' ARG . 65.3 mtt-85 -107.6 121.42 44.62 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.06 166.24 23.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.885 -174.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.12 132.38 56.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.644 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.606 ' HA ' HG12 ' A' ' 71' ' ' VAL . 91.6 t -74.68 116.46 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -35.22 14.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 p -160.94 142.15 11.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.769 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.643 HG13 HG12 ' A' ' 69' ' ' ILE . 45.6 t -114.16 109.48 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.415 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -97.49 103.6 15.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.015 0.436 . . . . 0.0 110.35 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.86 179.7 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.256 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.57 144.38 89.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.63 -45.13 43.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.867 2.378 . . . . 0.0 112.477 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.77 92.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.52 -43.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 24' ' ' ARG . 37.1 ttm180 -56.5 -50.01 73.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.423 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -66.61 -35.83 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.476 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 16.7 ttt180 -59.74 -42.64 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.484 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 94.0 mt -66.65 -38.63 87.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.297 177.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.453 ' HG2' HG12 ' A' ' 33' ' ' VAL . 89.2 mtp -63.99 -40.01 95.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -33.29 75.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.317 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 95.3 mt -71.94 -42.52 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.869 0.366 . . . . 0.0 110.495 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.25 5.33 0.62 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.3 tt -97.75 96.0 7.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 28' ' ' MET . 35.7 m -128.97 172.75 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.236 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -67.98 118.1 10.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.16 -3.75 48.02 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.753 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.5 135.32 39.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.275 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -105.72 126.25 51.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 38' ' ' LEU . 2.3 pt? -133.65 157.99 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.146 0.498 . . . . 0.0 111.889 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -116.75 119.74 36.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.098 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 52' ' ' VAL . 77.9 t -70.62 117.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -90.84 -61.53 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -148.34 159.68 43.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.85 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -118.86 140.14 50.46 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 171.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -65.58 158.26 74.74 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.0 Cg_endo -59.95 6.69 0.1 OUTLIER 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 123.635 2.89 . . . . 0.0 113.946 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' A' ' 44' ' ' ALA . 91.1 mt -131.75 13.16 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.87 8.99 78.94 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.213 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.91 133.3 1.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.58 -175.48 16.56 Favored 'Cis proline' 0 C--O 1.237 0.441 0 C-N-CA 123.436 -1.485 . . . . 0.0 113.13 0.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.84 134.43 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.31 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -98.48 114.47 26.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.858 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.7 m -130.13 136.73 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 0.0 111.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -88.85 101.41 14.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.3 t -108.98 112.32 24.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.645 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 62.59 29.66 16.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.885 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.35 -19.63 53.96 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.925 -0.579 . . . . 0.0 113.252 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.36 132.73 42.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.001 0.4 . . . . 0.0 111.201 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.25 105.46 6.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mt -106.46 131.62 53.43 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -108.99 119.81 40.68 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.44 169.44 17.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.116 179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 62' ' ' ARG . 4.9 mmm180 -88.66 156.81 18.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.62 -173.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 48.2 ttt-85 -54.59 -37.22 65.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.181 177.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.538 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 1.8 m-20 -54.49 -43.68 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.422 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.5 mt-10 -73.25 -39.24 65.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.268 -176.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 4' ' ' SER . . . -66.2 -26.17 67.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.357 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' OE2' ' HA ' ' A' ' 64' ' ' ASN . 41.6 mt-10 -62.77 -45.66 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.461 . . . . 0.0 110.491 173.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.52 -35.57 90.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.01 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.643 HG12 HG13 ' A' ' 17' ' ' VAL . 38.5 mt -74.59 123.56 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 111.21 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -103.77 128.28 51.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.448 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.606 HG12 ' HA ' ' A' ' 14' ' ' VAL . 28.9 m -133.04 166.12 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -129.03 134.17 48.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.23 129.95 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.62 87.16 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.016 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.31 46.07 0.81 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.017 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.02 -51.54 56.22 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -143.2 142.35 31.39 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 64.4 91.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.954 0.784 . . . . 0.0 110.304 -175.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.66 71.65 0.25 Allowed Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.839 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -70.43 153.01 95.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.75 -21.87 57.84 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.29 1.993 . . . . 0.0 111.682 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.3 m170 56.81 32.08 20.7 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.033 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.17 -133.31 2.91 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 65.3 t-105 -151.45 142.01 14.92 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 2.8 Cg_exo -77.61 118.65 4.61 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.192 2.595 . . . . 0.0 112.545 178.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.44 -177.64 37.16 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.61 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -113.4 -57.72 2.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.576 0.188 . . . . 0.0 110.845 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 70.1 114.83 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.773 0.671 . . . . 0.0 112.054 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -95.02 173.92 7.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.93 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 56.4 37.59 28.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.386 0.612 . . . . 0.0 109.795 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -79.39 86.84 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.956 -173.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -145.26 116.92 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.975 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -82.7 104.38 12.91 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.76 164.69 52.03 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.633 -0.712 . . . . 0.0 114.109 -171.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -127.44 138.11 52.88 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -63.1 145.67 54.95 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.19 109.93 1.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.012 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -109.1 111.57 23.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.862 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -104.93 120.17 40.79 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -58.51 145.91 37.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.103 -168.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -72.88 167.96 19.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.483 -175.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -88.53 149.92 23.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.771 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -133.79 166.56 22.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.995 177.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -78.0 126.01 30.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.01 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.7 m80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.336 179.56 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.866 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 1.2 mptm? -86.25 153.21 22.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.859 0.361 . . . . 0.0 110.372 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.615 HD23 HD12 ' A' ' 69' ' ' ILE . 17.4 tp -65.53 -31.85 73.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.98 173.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 p -80.67 -0.96 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.909 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.866 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 5.7 mm-40 -89.46 -24.52 21.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.132 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.474 HD21 HG12 ' A' ' 73' ' ' ILE . 93.2 mt -62.4 148.7 44.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.601 178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.613 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 18.6 ptpt -121.9 44.03 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -170.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 42' ' ' ARG . . . 68.14 124.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.709 0.766 . . . . 0.0 112.735 174.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.43 -14.37 65.13 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.434 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 6' ' ' LEU . 35.6 m-20 -79.71 148.14 31.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -115.31 128.42 56.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.17 164.71 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.007 0.432 . . . . 0.0 111.077 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -121.0 127.99 52.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.988 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' HA ' HG12 ' A' ' 71' ' ' VAL . 56.4 t -71.14 125.79 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.853 -177.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -100.75 -34.02 10.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.094 0.473 . . . . 0.0 110.565 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -158.91 147.97 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.799 HG23 HG12 ' A' ' 69' ' ' ILE . 3.3 p -126.96 111.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.373 0.606 . . . . 0.0 110.562 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.24 112.91 26.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.038 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.26 171.66 16.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.725 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -62.3 148.37 89.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.5 -52.08 6.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 123.609 2.873 . . . . 0.0 113.425 -176.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.84 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.208 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.77 -45.26 77.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.288 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -61.74 -43.22 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.081 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -58.58 -44.51 89.83 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.659 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.488 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 37.3 mtt180 -58.36 -47.96 82.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.704 0.288 . . . . 0.0 110.826 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 69' ' ' ILE . 85.1 mt -61.04 -46.82 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.157 0.503 . . . . 0.0 110.708 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 89.8 mtp -67.87 -35.8 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.176 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.34 -32.09 69.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.568 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 94.3 mt -70.42 -40.02 74.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 176.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.54 19.32 0.18 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.995 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -105.25 98.91 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.015 0.436 . . . . 0.0 110.065 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.33 -179.63 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.004 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -67.97 127.52 33.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.85 -4.84 68.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.862 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.52 127.68 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -94.82 129.29 41.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -136.07 145.62 46.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.103 0.478 . . . . 0.0 111.31 -177.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -110.38 124.97 52.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.729 175.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.485 ' HA ' HG12 ' A' ' 52' ' ' VAL . 59.1 t -71.93 126.86 33.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.74 -63.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HG2' ' H ' ' A' ' 43' ' ' PHE . 24.6 ttp180 -170.46 167.65 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.971 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 82.6 m-85 -94.25 164.15 13.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.991 172.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.02 166.41 43.62 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 165.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.33 1.72 0.24 Allowed 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.116 2.544 . . . . 0.0 114.415 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.2 mt -132.6 7.5 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.92 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.71 -3.12 84.35 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.915 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -148.71 132.95 8.76 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.14 -171.2 9.54 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.782 -1.341 . . . . 0.0 112.782 -1.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.3 mt -124.03 136.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.867 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -104.04 129.08 51.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.624 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 40' ' ' VAL . 28.4 m -137.76 153.82 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.446 . . . . 0.0 111.427 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -109.38 100.97 9.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.66 115.03 29.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.209 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.664 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 7.7 t-20 59.35 27.46 16.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.472 174.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.45 -5.88 62.87 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.442 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.664 ' HE1' ' HB3' ' A' ' 55' ' ' ASN . 4.2 mpp? -101.22 126.89 47.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.114 0.457 . . . . 0.0 110.073 175.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.5 110.43 22.5 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -132.46 135.69 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -175.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.6 m -91.18 123.1 34.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.464 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.3 ptm -126.42 164.03 22.01 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.104 0.478 . . . . 0.0 111.148 -174.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 8.5 mmm180 -86.38 150.04 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.485 -173.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -58.97 -39.23 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.336 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -61.15 -30.49 70.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.841 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' O ' HG13 ' A' ' 69' ' ' ILE . 45.5 mt-10 -74.86 -43.78 52.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.04 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.09 70.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.982 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -60.13 -44.3 95.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.193 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.83 -20.25 72.22 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.078 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.799 HG12 HG23 ' A' ' 17' ' ' VAL . 62.6 mt -87.59 125.07 41.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.207 0.527 . . . . 0.0 111.104 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -102.49 123.12 45.68 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.88 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 14' ' ' VAL . 31.5 m -127.7 167.96 21.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.556 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 171.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.474 HG12 HD21 ' A' ' 6' ' ' LEU . 56.8 mt -66.73 130.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 0.0 111.333 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.6 77.36 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.432 0.634 . . . . 0.0 109.794 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.01 175.22 13.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.712 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.07 -2.84 39.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.185 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -80.1 98.25 7.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.715 -0.242 . . . . 0.0 110.442 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 54.41 70.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.21 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.6 -31.24 24.92 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.4 m80 68.85 147.52 0.12 Allowed Pre-proline 0 N--CA 1.467 0.392 0 O-C-N 124.565 0.803 . . . . 0.0 112.489 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.93 136.17 34.46 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.596 2.197 . . . . 0.0 110.477 170.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -97.67 102.58 14.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.147 0.499 . . . . 0.0 111.657 -173.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.36 105.12 3.25 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 6.0 m95 -83.62 144.82 46.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.041 0.448 . . . . 0.0 111.872 -175.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 16.4 Cg_exo -68.41 144.22 60.76 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.281 2.654 . . . . 0.0 111.311 174.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -110.3 161.88 12.78 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.149 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 73.55 98.58 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.684 0.794 . . . . 0.0 111.994 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -134.32 132.56 39.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.957 173.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -153.94 122.47 6.23 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -89.37 -38.88 13.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.172 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -106.26 103.56 13.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.394 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 92' ' ' ARG . 42.4 mtt180 -93.51 72.89 4.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.231 174.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 55.73 44.8 25.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.31 65.69 3.32 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.61 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -140.31 108.12 5.67 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.373 0.269 . . . . 0.0 110.72 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 66.4 109.41 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.861 0.839 . . . . 0.0 112.78 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.77 155.1 19.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.939 174.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.02 133.27 39.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.831 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -93.71 149.62 21.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.153 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -93.19 174.32 7.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.696 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -114.78 137.17 52.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -97.18 -78.21 0.48 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.636 0.255 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -121.56 174.6 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -177.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.407 ' HD2' ' ND1' ' A' ' 105' ' ' HIS . 45.6 p-80 -133.27 156.14 48.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.949 -174.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.407 ' ND1' ' HD2' ' A' ' 104' ' ' HIS . 56.0 m80 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.931 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 ptm . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.569 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 13.7 mptt -85.9 151.05 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.702 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 6' ' ' LEU . 29.7 tp -65.06 -31.49 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -76.4 -15.34 59.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.237 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.569 ' HG2' ' HB2' ' A' ' 2' ' ' LYS . 17.8 mm-40 -95.21 1.83 54.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.121 -176.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD11 HG21 ' A' ' 71' ' ' VAL . 25.0 mt -77.22 -177.11 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.6 . . . . 0.0 111.668 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 73.6 mmtt -120.11 149.76 41.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.637 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 40' ' ' VAL . . . -66.71 105.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.39 6.86 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.84 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' OD1' ' HB2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 179.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 11' ' ' ARG . 16.7 ttm180 -113.22 128.62 56.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.54 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.28 174.03 11.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -124.78 133.31 53.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.33 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.553 HG23 HD22 ' A' ' 38' ' ' LEU . 89.6 t -69.84 122.7 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 p -96.6 -41.44 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.618 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 148.68 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.285 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.679 HG13 HG12 ' A' ' 69' ' ' ILE . 52.6 t -124.15 117.95 52.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.45 101.14 10.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.478 176.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.76 -176.94 6.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.473 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -65.3 144.1 98.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.68 -42.19 70.72 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.811 2.341 . . . . 0.0 112.344 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.55 83.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.151 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.85 -35.67 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.523 -175.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 28' ' ' MET . 43.8 ttp180 -63.22 -49.16 75.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.932 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 28' ' ' MET . 32.1 mtm105 -64.38 -31.9 73.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.151 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -43.24 89.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.83 -39.34 56.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.882 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.445 ' HG2' HG12 ' A' ' 33' ' ' VAL . 88.1 mtp -61.96 -37.78 86.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.712 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -34.86 75.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.751 175.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.733 HD13 HD22 ' A' ' 59' ' ' LEU . 97.1 mt -71.98 -41.16 68.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.032 177.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.33 -0.66 1.12 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.655 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -82.26 92.78 6.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.14 0.495 . . . . 0.0 110.128 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 28.8 m -133.47 -175.98 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.092 178.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -68.9 116.59 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 175.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.05 -1.05 38.24 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.843 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' HB2' ' H ' ' A' ' 33' ' ' VAL . . . -75.26 123.69 25.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.52 0.2 . . . . 0.0 110.606 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HG2' HD11 ' A' ' 74' ' ' LEU . 57.2 mttp -91.02 126.53 36.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.807 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD22 HG23 ' A' ' 14' ' ' VAL . 2.4 pt? -140.99 149.38 41.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.999 0.428 . . . . 0.0 110.735 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 36.8 ttpt -118.23 135.56 54.19 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 52' ' ' VAL . 70.6 t -70.2 118.35 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 53' ' ' ASN . 87.5 mt -90.58 -56.68 3.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.18 143.12 27.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.983 -173.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -110.75 133.61 53.19 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 165.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -62.99 161.74 27.98 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 22.2 Cg_endo -61.24 5.88 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.715 0 C-N-CA 123.153 2.569 . . . . 0.0 114.168 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.7 mt -132.5 10.06 4.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.181 0.515 . . . . 0.0 109.812 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.98 20.69 79.04 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -170.1 127.67 0.78 Allowed Pre-proline 0 C--N 1.326 -0.415 0 C-N-CA 122.904 0.481 . . . . 0.0 109.71 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.66 -175.93 17.67 Favored 'Cis proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.984 1.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -122.26 137.11 56.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.429 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.2 121.05 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.123 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 40' ' ' VAL . 31.4 m -133.33 150.05 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.015 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 49.7 t-20 -101.82 105.36 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.9 t -107.92 108.53 19.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.068 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.47 28.48 13.78 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.078 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.56 -4.2 63.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.546 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -104.53 117.72 34.83 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -82.91 105.33 13.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.733 HD22 HD13 ' A' ' 30' ' ' LEU . 9.8 mt -101.3 144.41 30.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.016 -172.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m -128.61 120.55 26.84 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.019 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 -179.5 6.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -91.45 161.45 14.98 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 39.7 ttt85 -58.92 -36.98 75.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.28 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.37 -32.49 70.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.08 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 mp0 -69.67 -46.49 65.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.043 0.449 . . . . 0.0 109.986 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.56 78.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.282 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 44.0 mt-10 -63.38 -36.33 83.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.161 0.505 . . . . 0.0 110.366 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -67.05 -25.18 73.34 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.669 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.679 HG12 HG13 ' A' ' 17' ' ' VAL . 61.4 mt -86.3 132.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.593 . . . . 0.0 111.722 -173.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 m -105.28 130.65 53.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.537 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.624 HG21 HD11 ' A' ' 6' ' ' LEU . 33.3 m -129.35 158.69 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -121.89 121.67 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.983 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.99 134.16 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.324 0.583 . . . . 0.0 111.817 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD11 ' HG2' ' A' ' 37' ' ' LYS . 48.9 mt -92.6 51.06 1.67 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.81 0.814 . . . . 0.0 110.549 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.84 28.06 0.48 Allowed 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.25 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.63 -33.79 0.33 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.705 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t70 65.86 17.17 10.76 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.542 0.687 . . . . 0.0 110.546 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -82.69 163.32 21.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.97 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 107.12 -115.86 4.78 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -176.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -170.88 143.77 1.73 Allowed Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.4 126.49 22.42 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.579 2.186 . . . . 0.0 111.833 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -64.01 163.92 11.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.037 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.63 -166.01 11.22 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.168 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER 71.48 144.2 0.1 Allowed Pre-proline 0 C--N 1.33 -0.258 0 C-N-CA 123.52 0.728 . . . . 0.0 111.782 -179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 32.8 Cg_exo -59.36 -39.84 73.36 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.913 2.409 . . . . 0.0 112.027 175.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.63 151.71 28.58 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.238 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -150.96 114.75 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.908 0.385 . . . . 0.0 110.233 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -122.33 139.14 54.17 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.518 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.5 mtt85 -58.5 124.45 19.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.334 0.588 . . . . 0.0 111.915 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -133.21 -167.97 2.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.856 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 68.08 -169.12 0.19 Allowed 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.681 0.613 . . . . 0.0 110.374 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -148.81 162.98 38.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -122.3 124.82 44.64 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 145.15 144.81 4.19 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.611 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -172.77 103.63 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -83.62 116.19 22.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.97 126.95 32.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.944 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.61 -7.51 52.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.918 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 64.49 -168.48 0.21 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.495 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -111.65 152.76 27.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.343 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -94.57 86.22 4.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.239 0.542 . . . . 0.0 109.583 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -73.05 -24.25 60.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.917 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 65.99 174.33 0.23 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.395 0.617 . . . . 0.0 111.353 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -114.78 -39.97 3.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.808 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.567 179.142 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.61 ' HB2' ' HB2' ' A' ' 81' ' ' PRO . 50.1 ttp . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -86.77 153.8 21.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 69' ' ' ILE . 18.4 tp -65.74 -33.52 76.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.68 172.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -75.33 -8.43 56.65 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.601 176.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -97.07 1.66 50.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.546 HD11 HG21 ' A' ' 71' ' ' VAL . 50.3 mt -79.6 178.34 8.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.223 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.8 156.07 48.67 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 116.99 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.241 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.56 -32.08 4.4 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.25 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.71 151.68 37.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.322 0.582 . . . . 0.0 112.496 -172.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 11' ' ' ARG . 19.4 mtp180 -114.54 141.61 47.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.866 176.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.78 165.84 27.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.23 0.538 . . . . 0.0 111.556 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.734 ' HB2' HD21 ' A' ' 74' ' ' LEU . 34.4 tt0 -113.67 131.9 55.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.158 176.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.47 119.05 21.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.867 0.365 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -95.78 -34.0 12.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 p -162.44 147.38 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.778 HG13 HG12 ' A' ' 69' ' ' ILE . 60.1 t -120.58 119.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.413 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.593 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -105.06 104.72 14.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.965 0.412 . . . . 0.0 110.066 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.04 172.28 17.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.559 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 11.6 tm-20 -58.28 141.87 82.0 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 6.6 Cg_endo -51.27 -43.02 51.54 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.087 2.525 . . . . 0.0 113.443 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.3 -44.59 68.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.752 0.31 . . . . 0.0 110.655 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 74.0 t -66.94 -40.34 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-O 121.18 0.514 . . . . 0.0 109.997 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.89 -39.95 91.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.945 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.25 -41.22 99.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.401 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 76.0 mtp180 -70.9 -39.08 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 23' ' ' VAL . 95.7 mt -60.72 -46.04 91.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 109.895 176.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 42.7 mtm -70.49 -27.45 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.751 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.21 -47.9 69.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.981 175.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.92 14.99 0.21 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.129 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.81 89.26 4.54 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.3 m -125.68 -176.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.218 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -67.81 114.7 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.96 -1.8 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.387 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.96 136.35 41.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.866 0.365 . . . . 0.0 110.425 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.61 128.65 54.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.9 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.84 160.47 38.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.143 0.496 . . . . 0.0 111.684 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HG3' ' HG2' ' A' ' 11' ' ' ARG . 57.5 tttp -122.11 124.2 43.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.483 175.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.7 ' HA ' HG12 ' A' ' 52' ' ' VAL . 57.7 t -71.53 117.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.715 HD11 HD22 ' A' ' 58' ' ' LEU . 68.1 mt -83.33 -62.65 1.53 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.929 0.395 . . . . 0.0 110.373 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -161.82 152.43 17.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.009 -175.467 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -105.08 155.43 19.0 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -73.32 165.38 53.4 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.45 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 72.8 Cg_exo -49.31 -33.34 28.45 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.72 2.28 . . . . 0.0 113.02 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.18 1.0 54.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.279 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.4 0.06 86.78 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.838 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -151.43 132.18 7.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -78.6 -170.81 9.1 Favored 'Cis proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.565 -1.431 . . . . 0.0 113.493 1.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.4 mt -126.55 139.65 51.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.331 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -108.44 121.36 44.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.681 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.7 HG12 ' HA ' ' A' ' 40' ' ' VAL . 23.4 m -135.79 146.6 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.128 0.489 . . . . 0.0 111.246 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.76 100.22 12.75 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 42.9 t -110.85 118.67 36.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.952 0.406 . . . . 0.0 111.063 -173.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.56 27.88 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.39 -3.5 63.75 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.5 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 71.7 mtm -121.01 138.64 54.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.115 0.458 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.715 HD22 HD11 ' A' ' 41' ' ' LEU . 68.6 mt -75.91 107.39 8.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.854 178.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 54' ' ' CYS . 8.0 mt -111.12 137.52 48.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.904 0.383 . . . . 0.0 110.393 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.76 130.76 45.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.885 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 21.1 ptm -143.22 166.86 23.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.102 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 62' ' ' ARG . 7.1 mmm180 -96.21 163.14 13.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 29.4 ttt180 -61.72 -34.28 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.025 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.84 -49.9 61.95 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.8 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.628 ' O ' HG13 ' A' ' 69' ' ' ILE . 2.2 mp0 -64.25 -43.39 95.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.83 -28.46 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.931 -175.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 36.7 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 109.909 174.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.593 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -68.49 -36.9 84.77 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.726 -0.67 . . . . 0.0 113.127 175.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.778 HG12 HG13 ' A' ' 17' ' ' VAL . 61.5 mt -74.41 132.5 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.395 0.617 . . . . 0.0 111.443 -174.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -109.73 128.29 55.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.821 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.546 HG21 HD11 ' A' ' 6' ' ' LEU . 29.3 m -132.63 160.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.196 0.522 . . . . 0.0 111.393 -175.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -123.46 129.62 51.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.21 173.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.51 129.17 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.985 0.422 . . . . 0.0 111.211 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 13' ' ' GLU . 95.0 mt -83.2 80.58 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.138 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -172.82 174.44 3.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.358 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.48 43.81 3.27 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 175.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -127.4 103.33 7.31 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -147.47 179.62 7.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.92 -86.65 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -161.03 79.46 2.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-O 121.426 0.631 . . . . 0.0 111.018 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.61 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 7.3 Cg_exo -73.55 128.93 13.14 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.716 2.277 . . . . 0.0 111.261 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.527 ' ND1' ' HA ' ' A' ' 1' ' ' MET . 27.2 m80 67.98 121.95 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.013 0.82 . . . . 0.0 110.932 -173.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.87 -122.9 4.11 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.433 -173.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -110.34 142.31 25.75 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.733 -0.234 . . . . 0.0 110.409 -172.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -57.73 -52.82 5.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.99 2.46 . . . . 0.0 112.367 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.93 13.89 26.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.659 -0.781 . . . . 0.0 113.45 175.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 90.6 t80 65.99 118.9 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.391 0.615 . . . . 0.0 111.562 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -78.6 119.93 22.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -75.24 141.88 43.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.318 -175.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 90' ' ' ARG . 0.7 OUTLIER -148.03 146.03 28.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.167 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -167.82 162.73 13.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.861 0.362 . . . . 0.0 111.035 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 92' ' ' ARG . 38.7 ttt-85 -157.33 -62.27 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.422 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.5 t80 58.76 86.6 0.08 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.895 0.747 . . . . 0.0 110.824 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.86 -53.33 6.41 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.667 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.1 tttp 59.13 91.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.403 0.62 . . . . 0.0 110.842 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -98.43 130.88 45.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.777 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.49 104.43 15.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.141 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 tt -105.83 116.0 31.19 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.77 111.43 20.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -139.38 110.92 7.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.569 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -80.73 152.86 28.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.472 ' HD2' ' H ' ' A' ' 104' ' ' HIS . 3.5 t-160 -55.23 -52.95 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.377 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 64.3 t60 71.19 -24.71 0.17 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.493 0.717 . . . . 0.0 112.19 177.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.472 ' H ' ' HD2' ' A' ' 102' ' ' HIS . 31.1 m80 71.64 -164.79 0.13 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.06 0.544 . . . . 0.0 110.265 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.0 m170 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.962 -176.06 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 12.8 tpt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.9 mptt -84.78 145.63 27.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.689 HD12 HD12 ' A' ' 6' ' ' LEU . 35.0 tp -65.47 -32.42 74.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.336 0.589 . . . . 0.0 109.765 175.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -74.55 -14.77 60.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.78 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' CG ' ' HB2' ' A' ' 2' ' ' LYS . 24.2 mm-40 -88.29 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD12 HD12 ' A' ' 3' ' ' LEU . 55.4 mt -76.56 174.22 10.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 177.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.91 159.79 39.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.757 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.32 -27.03 5.91 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.591 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.72 149.97 41.5 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.261 0.553 . . . . 0.0 111.523 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -122.48 136.9 55.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.37 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.27 163.03 33.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.583 0.23 . . . . 0.0 111.058 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -110.32 126.6 54.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.659 ' HA ' HG12 ' A' ' 71' ' ' VAL . 60.8 t -71.0 120.32 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.696 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.5 p -99.76 -27.54 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -162.95 152.2 15.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.321 . . . . 0.0 110.731 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.734 HG13 HG12 ' A' ' 69' ' ' ILE . 52.8 t -126.77 132.64 69.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -132.02 106.85 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.415 0.626 . . . . 0.0 110.786 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -161.16 175.03 12.8 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 143.96 72.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.51 -42.08 68.48 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.124 2.55 . . . . 0.0 112.84 -173.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.46 86.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.082 0.468 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.9 -46.03 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.125 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -63.22 -34.39 77.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.508 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -62.0 -42.11 98.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.21 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 67.5 mtt180 -65.54 -38.48 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.886 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.24 -48.23 74.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 90.7 mtp -64.07 -37.3 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.74 -45.75 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.529 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 97.6 mt -64.6 -39.94 94.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.531 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.54 0.82 0.94 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.54 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.16 96.51 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.251 0.548 . . . . 0.0 110.016 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.91 176.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.375 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -62.38 123.53 18.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.746 0.307 . . . . 0.0 110.239 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.29 -13.01 48.25 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.963 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.76 126.12 29.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -105.37 128.86 53.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.341 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 3' ' ' LEU . 2.3 pt? -135.48 153.11 51.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.006 0.431 . . . . 0.0 111.673 -172.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -106.43 125.23 50.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.748 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HA ' HG12 ' A' ' 52' ' ' VAL . 47.6 t -72.3 121.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.02 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.81 157.36 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.166 0.507 . . . . 0.0 111.191 -172.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.53 141.86 51.59 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.088 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.633 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -66.97 163.45 44.16 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 30.2 Cg_endo -62.85 1.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.756 2.304 . . . . 0.0 113.837 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -133.28 17.21 4.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.684 0.278 . . . . 0.0 110.974 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.22 19.31 79.6 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.653 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -168.77 124.56 0.78 Allowed Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.74 176.44 39.91 Favored 'Cis proline' 0 C--O 1.236 0.413 0 C-N-CA 123.297 -1.543 . . . . 0.0 113.465 2.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.45 135.92 51.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.65 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -110.19 119.42 39.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.149 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 40' ' ' VAL . 29.6 m -131.86 149.02 32.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.079 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -96.95 103.2 15.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.7 t -105.97 101.92 11.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.734 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 61.22 30.09 19.06 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.21 -3.18 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.599 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -108.42 117.27 33.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.73 111.54 12.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.803 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.428 HD22 HD13 ' A' ' 30' ' ' LEU . 8.2 mt -108.5 129.03 55.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.295 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.2 m -114.59 120.66 40.94 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -148.55 178.58 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.729 0.299 . . . . 0.0 111.282 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -92.69 161.72 14.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.505 -171.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.36 -38.57 87.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.704 -174.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -58.52 -36.29 73.6 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.93 0.395 . . . . 0.0 110.737 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 69' ' ' ILE . 34.6 mt-10 -67.9 -43.92 78.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.049 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.44 -26.49 60.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.557 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.77 -45.03 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.013 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 18' ' ' ALA . . . -66.82 -21.87 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.121 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HG13 ' A' ' 17' ' ' VAL . 72.5 mt -85.42 123.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.474 . . . . 0.0 111.31 -177.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -96.43 126.02 41.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.974 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' A' ' 14' ' ' VAL . 35.2 m -130.8 169.83 20.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -128.62 128.18 43.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.42 HD11 ' HE2' ' A' ' 1' ' ' MET . 42.6 mt -70.13 133.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.104 0.478 . . . . 0.0 111.217 -176.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.5 mt -80.72 76.41 7.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.556 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.06 -178.87 4.45 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.943 -176.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.55 12.81 25.77 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -175.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.93 82.99 0.11 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 114.899 -0.65 . . . . 0.0 110.959 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.89 154.5 17.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.827 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.69 153.61 49.13 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.396 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.0 m80 61.56 78.65 0.3 Allowed Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.93 -40.17 22.03 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.605 2.203 . . . . 0.0 111.984 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -172.89 171.62 4.25 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.85 32.27 2.03 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 70.0 t-105 -97.43 142.36 24.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.092 -0.554 . . . . 0.0 110.375 -174.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 84' ' ' TRP . 6.1 Cg_exo -79.22 94.66 1.06 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.608 2.206 . . . . 0.0 111.061 173.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.33 80.06 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.515 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -78.24 156.49 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 88' ' ' ARG . 36.8 ttt180 -109.74 99.15 8.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 0.0 110.698 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -136.79 137.67 40.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.991 176.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -171.32 147.18 2.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -110.89 116.6 31.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.925 0.393 . . . . 0.0 110.175 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -79.54 132.45 36.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.238 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -80.22 156.95 26.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.535 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.56 176.68 38.87 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.042 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -66.85 147.19 53.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.886 0.374 . . . . 0.0 110.964 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -83.0 149.9 26.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.433 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.22 103.83 7.38 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.213 176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.79 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.2 pt? -93.16 139.92 30.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.343 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 62.46 94.7 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.222 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -86.28 147.61 26.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.028 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -84.59 122.7 29.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.104 -175.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -93.41 -25.02 17.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.406 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.5 m80 61.41 -168.19 0.18 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.73 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -130.79 -168.24 1.96 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.449 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.2 177.864 . . . . . . . . 0 0 . 1 stop_ save_