data_2ekj_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 2ekj _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 ' 8' ' ' ARG . . . . . 0.563 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 81.4 mtm180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -118.45 122.71 29.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 158.45 56.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 126.89 13.86 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -119.38 178.05 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 64.28 34.6 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.57 131.41 50.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.82 109.76 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 94' ' ' GLY . 9.6 mp -94.79 112.02 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.13 126.44 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 8.6 t -102.54 114.79 29.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.07 -20.34 13.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.5 146.92 20.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.131 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.19 2.93 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.293 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.5 -10.28 11.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -149.04 155.44 40.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 68' ' ' LEU . 5.9 tp -137.04 119.14 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.4 142.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 63' ' ' VAL . 2.5 p -150.39 129.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 t -132.85 -177.1 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 p90 -174.03 167.77 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.7 m -94.25 108.73 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.6 Cg_endo -69.79 142.88 48.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -178.05 2.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -86.79 -29.66 22.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 156.57 52.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 34' ' ' ARG . 1.8 tmm_? -72.2 121.72 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.569 HG22 ' CE1' ' A' ' 82' ' ' TYR . 44.8 t -110.13 124.98 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.17 -61.94 2.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.537 ' CE1' HG12 ' A' ' 81' ' ' ILE . 6.1 p80 -148.55 170.35 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 18.2 m-85 -115.87 102.96 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -74.14 100.27 3.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' CD1' HG11 ' A' ' 63' ' ' VAL . 1.4 tt -94.31 135.01 36.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 p -134.98 89.35 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.46 ' CD1' HD21 ' A' ' 65' ' ' LEU . 34.0 p90 -92.57 155.6 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -172.7 168.57 2.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.752 0.311 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.0 p -169.84 137.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.401 HG21 ' CD2' ' A' ' 65' ' ' LEU . 22.3 m -134.94 133.47 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -79.12 153.09 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 93.3 t -148.08 138.83 13.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 53.9 Cg_endo -69.71 109.01 2.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.464 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.92 -29.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -45.88 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -102.39 151.57 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.425 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 20.3 p -109.8 35.93 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -159.66 162.07 35.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 64' ' ' THR . 7.2 p -169.41 146.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.427 ' N ' HG21 ' A' ' 63' ' ' VAL . 6.5 m -105.56 134.18 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 42' ' ' TYR . 13.3 mt -104.05 95.17 7.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.8 179.82 3.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.305 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.24 50.52 13.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 23.9 mt -108.98 163.75 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -94.77 -175.48 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.26 158.1 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 40.91 51.26 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -158.35 116.22 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -70.37 176.55 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 32.2 m-85 -149.46 125.46 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -73.25 92.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.6 t -81.36 114.87 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp -111.84 106.87 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -101.24 154.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.18 128.78 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.14 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -97.14 128.25 48.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE1' HG22 ' A' ' 35' ' ' VAL . 79.4 m-85 -119.65 171.15 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.08 -44.95 75.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.79 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.57 178.38 44.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -100.52 142.9 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.5 p -76.49 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -52.12 -179.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.32 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -107.76 117.86 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -88.94 153.85 20.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.2 115.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.0 p -90.97 130.14 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.465 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -136.27 108.42 0.67 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -55.36 132.57 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 179.76 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.569 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 53.4 mtm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.6 t -126.6 120.92 23.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.902 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 159.02 55.0 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.398 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.62 8.31 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -114.88 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' CD1' HG21 ' A' ' 90' ' ' VAL . 11.7 mt -66.98 120.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.32 100.45 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 94' ' ' GLY . 9.3 mp -79.55 114.64 18.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.95 121.68 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.5 t -96.2 118.0 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -108.39 -32.26 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.34 146.53 45.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.34 0.27 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.28 146.44 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 68' ' ' LEU . 5.7 tp -126.28 126.6 44.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.69 141.34 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 63' ' ' VAL . 1.3 p -138.35 127.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -128.08 137.65 52.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CE2' ' O ' ' A' ' 61' ' ' SER . 47.0 p90 -134.34 172.59 12.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.5 m -102.73 112.02 65.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.55 40.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -171.27 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -89.4 -49.82 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.91 164.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' NH1' HD23 ' A' ' 36' ' ' LEU . 5.8 tmm_? -83.22 114.58 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG22 ' CE1' ' A' ' 82' ' ' TYR . 61.7 t -107.76 124.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.415 HD23 ' NH1' ' A' ' 34' ' ' ARG . 18.6 mt -62.77 -65.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.565 ' CE1' HG12 ' A' ' 81' ' ' ILE . 8.4 p80 -141.33 167.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CE1' HG12 ' A' ' 35' ' ' VAL . 50.4 m-85 -113.5 100.75 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -73.61 101.31 3.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.3 tt -96.15 135.22 38.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 p -135.16 104.88 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.551 ' CD1' HD22 ' A' ' 65' ' ' LEU . 50.5 p90 -98.15 142.84 29.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.33 152.79 31.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 69.2 mmtt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.796 0.331 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -144.08 133.16 22.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.04 133.58 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -79.7 144.47 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -138.81 136.46 18.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.1 Cg_endo -69.81 119.79 6.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.627 2.218 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -42.31 -37.49 2.46 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.29 -44.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.477 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.8 ptp180 -107.15 160.7 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.439 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 51.8 p -123.96 31.51 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.3 m80 -151.09 148.68 28.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 5.2 p -163.02 152.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 m -105.24 144.73 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.551 HD22 ' CD1' ' A' ' 42' ' ' TYR . 9.3 mt -109.23 94.89 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.78 178.63 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 58.11 53.84 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.512 HD23 ' CZ ' ' A' ' 74' ' ' TYR . 20.9 mt -117.82 168.26 10.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -105.59 -178.41 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.75 159.39 15.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 44.43 47.84 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -155.01 112.0 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -69.17 175.55 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 38.2 m-85 -152.58 123.82 7.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.52 96.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -85.38 116.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.22 109.22 20.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 t -108.6 137.19 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 41.9 m -138.66 128.24 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.5 131.53 37.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -99.27 134.17 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 95.9 m-85 -125.87 162.17 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.11 -45.09 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.25 -54.59 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' CD ' ' A' ' 8' ' ' ARG . . . -172.76 165.0 37.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -83.79 145.56 28.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -79.97 174.48 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.22 175.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.66 128.93 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 14' ' ' LEU . 8.4 m -99.85 127.22 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 p -87.89 159.62 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.95 117.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 p -95.79 124.23 39.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.465 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -132.58 107.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -58.81 128.32 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -67.63 177.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.44 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.565 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 46.6 mtm180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 t -129.47 119.69 19.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 158.14 58.03 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 53.2 Cg_endo -69.82 123.91 10.55 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -114.79 178.05 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 63.46 37.56 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.74 126.48 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.65 109.04 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 94' ' ' GLY . 8.4 mp -94.1 115.19 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.85 128.33 56.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 12.4 t -102.78 118.09 36.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' CG ' HG23 ' A' ' 20' ' ' THR . 8.2 pt-20 -114.45 -20.54 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.422 HG23 ' CG ' ' A' ' 19' ' ' GLU . 1.4 t -155.86 145.41 15.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.551 0.691 . . . . 0.0 111.184 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 5.77 1.56 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -110.33 -16.27 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.4 p -153.87 157.93 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 5.9 tp -134.3 119.72 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -72.09 141.65 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.7 128.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -133.23 172.09 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.48 ' CH2' HD12 ' A' ' 40' ' ' LEU . 29.9 p90 -164.42 178.32 7.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 m -104.28 115.58 62.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 140.5 42.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -164.36 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -104.36 -28.52 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.3 145.49 40.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' NE ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -56.82 115.54 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 38' ' ' TYR . 88.9 t -109.68 120.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.41 HD23 ' NE ' ' A' ' 34' ' ' ARG . 51.4 mt -62.99 -61.53 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.512 ' CE1' HG12 ' A' ' 81' ' ' ILE . 5.3 p80 -146.67 169.44 19.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 51.9 m-85 -115.21 99.77 7.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -69.01 101.27 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 ' CH2' ' A' ' 28' ' ' TRP . 1.3 tt -98.53 136.42 38.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.45 HG22 ' CB ' ' A' ' 53' ' ' SER . 2.9 p -139.05 105.68 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 52' ' ' LYS . 49.1 p90 -98.78 151.3 20.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.48 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -150.36 169.11 9.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 18.8 mmtp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.45 ' CB ' HG22 ' A' ' 41' ' ' THR . 78.8 p -145.65 147.75 32.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.415 HG23 ' CD2' ' A' ' 65' ' ' LEU . 24.8 m -143.2 147.22 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -93.11 148.04 22.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 88.8 t -139.4 138.62 20.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.481 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.2 Cg_endo -69.78 108.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.632 2.221 . . . . 0.0 112.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.569 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -36.71 -30.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -46.19 -47.56 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 111.068 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.481 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.1 ptp180 -100.34 165.95 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 p -125.04 25.87 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -150.01 149.87 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.9 p -158.8 173.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -129.24 135.91 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.415 ' CD2' HG23 ' A' ' 54' ' ' VAL . 10.4 mt -104.13 95.24 7.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.71 177.31 5.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.258 . . . . 0.0 112.337 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.1 t0 61.35 54.83 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.513 HD21 ' CZ ' ' A' ' 74' ' ' TYR . 15.7 mt -114.0 176.71 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -111.73 -174.95 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.23 132.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 72.24 45.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.5 m -158.52 106.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -57.85 178.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.513 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 51.8 m-85 -154.48 120.05 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -69.95 99.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.6 t -88.16 113.57 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mp -104.54 117.05 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.4 ' CG1' ' HG3' ' A' ' 11' ' ' PRO . 7.7 t -116.52 133.97 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 51.0 m -136.85 124.22 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.12 127.21 32.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.587 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -92.91 149.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 85.5 m-85 -142.92 161.23 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.38 -48.97 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.0 -55.28 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.1 38.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.2 ptt85 -85.86 145.09 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.1 p -76.77 175.4 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.15 176.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.54 131.6 56.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.1 120.74 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -89.04 154.33 20.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -160.96 116.76 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.2 p -90.99 125.56 35.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.466 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -130.72 107.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.06 126.15 24.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -71.95 -179.83 2.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 23.9 mtm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -117.33 116.04 37.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.76 55.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.616 2.211 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 124.83 11.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -117.99 178.14 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 62.67 38.36 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.43 121.57 14.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.3 103.72 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD21 ' N ' ' A' ' 94' ' ' GLY . 8.5 mp -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.86 128.31 56.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.9 t -102.64 114.97 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' CG ' HG21 ' A' ' 20' ' ' THR . 4.9 pt-20 -108.42 -30.51 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.426 HG21 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -141.71 144.47 33.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.37 2.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.296 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.18 -4.41 12.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' THR . 4.9 m -157.76 153.83 27.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' N ' HD11 ' A' ' 68' ' ' LEU . 7.4 tp -133.01 120.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -81.9 139.41 34.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.1 p -143.22 126.61 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -123.58 169.94 10.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.73 171.29 15.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 m -96.28 105.66 23.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.62 30.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.89 3.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -85.32 -46.0 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.84 156.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -73.08 111.06 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.464 HG23 ' CE1' ' A' ' 82' ' ' TYR . 53.0 t -106.64 105.46 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -48.7 -66.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.563 ' CE1' HG12 ' A' ' 81' ' ' ILE . 7.7 p80 -140.52 161.56 37.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.459 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 62.0 m-85 -110.02 95.75 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -61.64 99.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 tt -94.18 146.13 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' CB ' ' A' ' 53' ' ' SER . 7.8 p -152.25 105.14 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 52' ' ' LYS . 49.5 p90 -95.63 156.47 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -156.21 166.88 15.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.577 0.703 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 40.6 mmtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.453 ' CB ' HG23 ' A' ' 41' ' ' THR . 84.5 p -163.46 127.68 2.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.3 m -126.94 140.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.4 t -85.33 144.82 27.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 57' ' ' PRO . 84.7 t -132.38 135.79 26.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' ALA . 53.6 Cg_endo -69.84 110.26 2.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.36 -33.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -42.19 -48.94 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -103.33 152.8 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -111.13 33.64 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -162.68 153.24 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 64' ' ' THR . 7.6 p -159.05 151.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.46 ' N ' HG21 ' A' ' 63' ' ' VAL . 5.8 m -100.61 137.91 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 22.8 mt -107.4 96.29 15.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.86 179.93 3.4 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.616 2.211 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 57.51 51.79 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 74' ' ' TYR . 13.0 mt -112.52 163.21 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -98.27 -179.09 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.48 143.52 38.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 61.1 42.39 12.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 88.1 m -152.03 105.21 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -56.83 173.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 46.2 m-85 -151.96 114.45 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -70.18 104.91 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.9 t -87.94 117.36 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mp -106.22 114.18 28.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.5 t -114.17 151.72 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.508 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 45.1 m -155.4 124.5 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -75.18 128.41 35.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.592 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -99.05 125.2 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 61.0 m-85 -118.87 165.3 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.45 -48.21 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -51.79 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.58 169.21 41.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -88.79 143.58 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.8 p -75.02 174.04 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -52.94 170.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.23 123.94 49.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.1 m -97.59 127.68 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 p -94.03 157.03 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.18 114.44 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -90.85 136.55 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.477 ' N ' HD21 ' A' ' 16' ' ' LEU . . . -141.64 107.08 0.49 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.52 133.61 55.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -76.58 -178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.83 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.4 mtm-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.821 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -123.68 123.46 26.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 155.55 65.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 126.7 13.62 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.707 2.271 . . . . 0.0 112.383 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.8 m -115.33 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 63.14 34.56 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 90' ' ' VAL . 12.4 mt -59.4 128.01 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.2 112.19 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 94' ' ' GLY . 9.2 mp -94.92 114.28 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.11 130.83 56.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 21.2 t -102.78 121.61 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' CG ' HG22 ' A' ' 20' ' ' THR . 9.8 pt-20 -117.77 -21.42 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.406 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -150.3 144.48 17.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 2.77 3.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -2.54 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.4 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -160.28 152.17 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 5.9 tp -131.49 128.56 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.38 145.25 30.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.82 133.4 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.9 p -134.56 169.51 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 61' ' ' SER . 35.2 p90 -165.04 174.88 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 m -100.2 115.68 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.542 0.686 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.76 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -164.13 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -101.1 -30.78 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.75 156.16 53.4 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -67.27 114.21 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.8 t -107.37 104.45 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 mt -51.04 -62.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.525 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.0 p80 -146.6 152.29 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 83.5 m-85 -100.44 94.57 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -59.1 106.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 tt -100.28 146.38 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.463 HG23 ' CB ' ' A' ' 53' ' ' SER . 6.7 p -152.66 104.99 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 52' ' ' LYS . 47.1 p90 -94.77 166.27 12.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -169.57 168.8 4.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.076 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 46.9 mmtt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.463 ' CB ' HG23 ' A' ' 41' ' ' THR . 93.3 p -168.53 134.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.18 133.58 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.7 t -78.29 134.05 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.45 126.55 24.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 125.1 11.71 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.56 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -40.54 -37.73 1.3 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.82 -46.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -106.92 151.88 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 10.9 t -108.18 16.34 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -152.28 163.02 40.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 p -166.02 158.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -102.47 145.06 30.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 9.1 mt -116.02 94.92 43.13 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.1 Cg_endo -69.82 179.13 3.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.291 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.61 52.04 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 21.7 mt -107.89 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -105.16 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.46 143.89 35.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 43.39 50.01 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.8 m -151.27 104.98 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -50.75 174.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -153.68 114.14 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.43 102.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.33 105.71 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.95 109.34 22.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.28 138.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 m -134.84 129.34 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -80.12 121.04 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.061 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.525 HG13 ' CE1' ' A' ' 37' ' ' HIS . 14.2 mm -90.74 146.24 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.566 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 67.3 m-85 -139.7 164.42 29.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.57 -50.26 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.63 -53.3 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -163.98 -160.53 11.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.446 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 4.6 ptt180 -122.8 142.87 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -71.16 174.44 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -53.96 -177.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.7 130.7 55.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 14' ' ' LEU . 5.1 m -105.18 125.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 p -90.42 159.44 16.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.67 113.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.5 p -89.61 137.61 32.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.463 ' N ' HD21 ' A' ' 16' ' ' LEU . . . -143.42 103.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -51.58 130.35 27.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -76.3 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 56.6 mtm-85 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -142.76 120.85 7.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 161.79 44.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.84 130.33 19.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -119.78 178.08 4.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 64.54 36.8 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.09 130.4 46.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.01 97.93 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 94' ' ' GLY . 9.9 mp -85.79 115.79 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.75 135.35 54.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -110.8 112.32 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -108.25 -31.93 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.407 HG21 ' CB ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -136.9 147.0 57.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -122.07 1.9 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.407 ' CB ' HG21 ' A' ' 20' ' ' THR . 0.7 OUTLIER -155.61 151.76 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 tp -137.87 115.53 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -68.18 140.95 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 63' ' ' VAL . 2.4 p -147.59 115.13 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -122.78 169.99 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ3' HD12 ' A' ' 40' ' ' LEU . 39.1 p90 -165.23 174.15 10.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -105.34 118.92 54.54 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.5 Cg_endo -69.78 142.5 48.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -93.52 -25.87 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.59 149.64 43.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 110.15 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.548 HG11 ' CE1' ' A' ' 38' ' ' TYR . 62.6 t -101.51 120.07 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -63.36 -67.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.539 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.1 p80 -136.31 151.66 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.548 ' CE1' HG11 ' A' ' 35' ' ' VAL . 32.0 m-85 -99.7 97.86 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -70.23 99.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.412 HD12 ' CZ3' ' A' ' 28' ' ' TRP . 1.8 tt -96.29 133.52 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.1 p -135.88 104.22 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CZ ' ' CB ' ' A' ' 52' ' ' LYS . 45.4 p90 -96.82 164.81 12.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -162.28 168.97 9.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.26 . . . . 0.0 112.388 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 22.8 mmtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.758 0.313 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 p -161.05 115.23 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.35 127.5 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.3 t -76.18 139.72 41.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 98.3 t -134.45 136.78 26.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.388 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -42.32 -30.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.71 -45.12 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -107.72 150.55 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.456 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 35.6 p -115.93 26.72 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.51 ' CD2' ' N ' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -141.02 144.12 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 1.8 p -160.89 168.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.8 m -132.92 144.71 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 42' ' ' TYR . 14.4 mt -103.13 95.92 7.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 179.8 3.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.285 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 t0 50.96 54.95 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.528 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 14.0 mt -110.29 -176.44 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -114.05 -175.08 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.56 150.16 30.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.39 52.39 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.1 m -162.67 105.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -58.38 172.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 27.4 m-85 -147.05 109.12 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -60.89 99.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.8 t -87.65 109.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -102.26 109.35 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.456 ' CG1' ' HG3' ' A' ' 11' ' ' PRO . 17.6 t -106.8 143.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -141.33 132.48 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.18 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.539 HG13 ' CE1' ' A' ' 37' ' ' HIS . 8.8 mm -90.55 134.5 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 90.0 m-85 -128.54 165.88 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.47 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.01 -50.96 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.35 -168.75 32.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.449 ' CB ' HD11 ' A' ' 81' ' ' ILE . 9.6 ptt180 -115.21 138.55 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.6 p -66.63 176.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.0 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.59 121.75 40.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.4 m -95.18 123.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 p -89.74 160.42 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.6 119.07 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.055 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.3 p -96.98 129.05 44.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.473 ' N ' HD21 ' A' ' 16' ' ' LEU . . . -132.13 90.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -40.41 134.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.7 p -79.46 -175.53 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.454 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 32.8 mtt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -112.75 119.85 42.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 158.49 56.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.7 140.28 42.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -131.12 177.6 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.33 37.29 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD13 ' CG2' ' A' ' 90' ' ' VAL . 11.7 mt -62.29 126.58 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.03 106.29 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 94' ' ' GLY . 8.3 mp -89.72 114.48 26.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.91 121.34 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.8 t -98.7 116.5 31.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' CG ' HG23 ' A' ' 20' ' ' THR . 5.1 pt-20 -111.68 -26.55 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 HG23 ' CG ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -144.62 144.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.22 -0.45 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -159.34 146.11 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . 13.2 tp -130.01 119.68 23.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -77.94 137.15 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.98 125.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.8 p -127.61 161.89 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CH2' HD13 ' A' ' 40' ' ' LEU . 42.1 p90 -157.34 170.78 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.7 m -93.68 113.41 60.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.2 Cg_endo -69.83 137.97 36.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -175.31 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' C ' HD13 ' A' ' 32' ' ' LEU . 1.3 tm? -95.96 -42.58 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.15 137.72 40.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' NH1' HD21 ' A' ' 36' ' ' LEU . 2.6 tmm_? -55.85 102.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.79 124.3 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD21 ' NH1' ' A' ' 34' ' ' ARG . 23.1 mt -55.21 -65.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -146.76 176.46 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 42.4 m-85 -116.89 101.71 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -71.11 103.17 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD13 ' CH2' ' A' ' 28' ' ' TRP . 1.3 tt -97.48 134.39 40.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.6 p -134.98 89.81 2.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.572 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.9 p90 -86.42 143.08 27.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -154.61 154.91 30.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.541 0.686 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.5 m -154.21 116.39 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' A' ' 65' ' ' LEU . 34.9 m -119.6 132.33 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -78.98 146.7 33.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 57' ' ' PRO . 84.7 t -134.83 136.85 26.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.488 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 54.3 Cg_endo -69.74 113.37 3.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.58 -42.3 0.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.9 -46.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.488 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 14.1 ptp180 -105.04 155.35 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 24.2 p -113.43 33.21 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 62' ' ' HIS . 2.0 p-80 -161.31 166.66 27.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.6 159.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -107.05 131.0 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' A' ' 42' ' ' TYR . 23.7 mt -101.78 97.53 8.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.76 178.93 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 54.59 52.06 12.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 12.4 mt -110.48 160.4 16.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -93.74 178.56 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -106.91 149.51 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 50.59 43.63 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 61.0 m -152.37 106.95 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.434 ' CA ' ' HA ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -60.51 174.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.504 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 37.5 m-85 -148.36 113.71 5.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ALA . 7.0 ttm180 -61.45 95.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.8 t -82.86 116.78 27.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.89 107.62 16.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' A' ' 11' ' ' PRO . 43.4 t -105.38 146.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 132.79 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.475 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -85.54 119.99 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.598 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.45 121.73 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.475 ' CE2' ' HB2' ' A' ' 80' ' ' ALA . 80.6 m-85 -113.08 168.72 9.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.11 -49.47 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.44 -178.07 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -106.25 137.46 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.4 p -72.06 172.71 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -53.66 175.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.83 126.07 54.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.421 ' CG2' HD13 ' A' ' 14' ' ' LEU . 12.7 m -98.97 128.3 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.0 p -88.65 158.48 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.69 110.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -91.56 133.52 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.466 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -145.03 103.28 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -52.99 142.4 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.447 ' O ' ' CD ' ' A' ' 95' ' ' GLN . 7.7 p -88.59 174.68 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.569 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 49.4 mtm180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -132.01 120.41 17.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.71 59.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.69 18.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -118.15 178.09 4.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 62.46 39.54 11.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -64.01 127.87 33.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.0 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.08 117.24 29.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.92 117.32 31.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -98.75 105.28 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -97.23 -21.59 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.82 147.48 27.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.95 3.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.0 -2.71 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.39 153.75 33.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' N ' HD11 ' A' ' 68' ' ' LEU . 7.9 tp -137.99 110.84 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.65 149.98 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -151.97 131.38 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -128.58 170.45 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -168.03 167.74 12.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.6 m -96.0 110.92 54.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 54.4 Cg_endo -69.67 142.24 47.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.48 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tt -104.68 -36.82 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.33 150.99 14.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -64.71 99.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.38 119.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.8 mt -56.07 -65.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.54 ' CE1' HG13 ' A' ' 81' ' ' ILE . 8.2 p80 -145.58 176.8 9.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.93 97.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -64.53 99.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tt -90.54 142.34 27.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 p -144.9 105.01 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.515 ' CD2' HD22 ' A' ' 65' ' ' LEU . 41.0 p90 -101.69 155.74 17.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -154.07 169.04 10.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 111.044 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.497 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 40.2 mmtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.14 122.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG21 ' CD2' ' A' ' 65' ' ' LEU . 35.7 m -128.3 135.05 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -79.75 148.89 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.95 137.37 30.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.65 0.738 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.481 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.8 Cg_endo -69.79 110.95 2.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' ALA . . . -35.53 -44.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -34.01 -46.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 4.5 ptp180 -104.3 161.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.401 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 88.9 p -117.49 30.39 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -161.22 166.72 27.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 p -171.03 152.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -101.98 140.28 36.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 42' ' ' TYR . 14.9 mt -108.21 95.39 15.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.72 178.63 4.35 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.375 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.0 54.31 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.514 HD23 ' CZ ' ' A' ' 74' ' ' TYR . 24.0 mt -113.61 169.5 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -98.24 -175.09 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.34 155.79 21.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 42.57 32.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -136.98 106.29 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -57.48 173.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.514 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 27.5 m-85 -149.04 109.77 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -57.73 104.68 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.38 111.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -108.27 110.8 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 79' ' ' SER . 12.5 t -107.66 151.47 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -150.71 134.42 16.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.494 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -84.78 117.06 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.54 HG13 ' CE1' ' A' ' 37' ' ' HIS . 15.1 mm -86.56 135.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 73.1 m-85 -130.27 162.47 28.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.49 -52.27 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.24 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.16 -174.2 35.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 7.1 ptt-85 -107.75 141.91 38.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -69.36 178.33 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.37 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.0 123.32 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.9 m -100.76 117.11 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -87.67 166.37 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.2 116.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -92.05 125.53 36.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.75 92.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -47.34 120.9 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 p -60.73 -176.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.547 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 71.3 mtm180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -118.09 121.9 30.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.696 0.76 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 157.3 60.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 127.79 15.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -113.29 177.83 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 62.25 46.46 6.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.43 131.04 45.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.65 112.1 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 94' ' ' GLY . 8.8 mp -93.88 105.08 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.79 124.39 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.461 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 2.4 p -100.77 123.78 45.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 5.2 mt-10 -102.68 -18.58 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.56 148.8 32.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.521 0.677 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -121.0 -0.46 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -157.33 149.32 22.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 6.9 tp -125.17 124.82 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.4 tt0 -84.53 142.44 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 27' ' ' SER . 6.8 p -143.48 137.81 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.457 ' N ' HG21 ' A' ' 26' ' ' VAL . 53.3 p -135.8 174.65 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -170.2 168.03 8.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.2 m -92.89 106.73 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.34 42.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -165.23 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -104.74 -27.07 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.89 150.23 46.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.19 106.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG13 ' CE1' ' A' ' 38' ' ' TYR . 89.9 t -105.16 117.22 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.85 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.51 ' CE1' HG12 ' A' ' 81' ' ' ILE . 3.1 p80 -140.67 176.76 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CE1' HG13 ' A' ' 35' ' ' VAL . 28.8 m-85 -123.07 92.29 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -61.19 110.24 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.2 tt -104.33 138.86 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.416 HG21 ' CB ' ' A' ' 53' ' ' SER . 2.1 p -140.95 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.518 ' CD1' HD23 ' A' ' 65' ' ' LEU . 54.9 p90 -102.6 161.55 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.23 164.07 3.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 20.8 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.729 0.3 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.416 ' CB ' HG21 ' A' ' 41' ' ' THR . 6.5 m -154.73 123.98 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.67 135.0 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -81.3 142.35 33.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 92.7 t -128.99 138.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.7 Cg_endo -69.78 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.545 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -35.93 -43.16 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.26 -43.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 4.5 ptp180 -107.08 142.91 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.7 p -102.67 33.08 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -163.69 155.51 17.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 40' ' ' LEU . 7.5 p -160.56 154.48 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -104.66 135.3 46.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 ' CD1' ' A' ' 42' ' ' TYR . 13.2 mt -105.27 95.29 9.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 179.36 3.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 t0 58.28 54.82 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.521 HD23 ' CZ ' ' A' ' 74' ' ' TYR . 21.0 mt -120.78 168.8 11.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -102.74 174.97 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.37 152.49 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 54.78 37.09 27.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.445 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 58.8 m -148.94 105.46 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.434 ' CA ' ' HA ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -62.16 174.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.521 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 64.6 m-85 -151.36 119.26 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -64.68 100.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -92.05 107.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mp -103.26 117.54 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.1 t -115.3 146.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -142.06 132.32 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.435 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -80.77 127.6 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.577 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -95.86 144.24 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.547 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 89.6 m-85 -138.67 170.38 16.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -44.76 80.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.31 30.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.99 169.86 39.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -89.43 145.95 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 p -77.57 177.01 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.57 -179.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.01 129.33 55.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.01 121.27 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -90.61 165.21 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.76 129.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.412 ' C ' HD22 ' A' ' 16' ' ' LEU . 30.7 p -98.26 140.47 32.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.471 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -150.1 100.42 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.434 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 42.7 tt0 -52.65 130.58 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.7 p -64.37 -177.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.563 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 72.4 mtm180 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -143.88 119.39 6.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 156.57 62.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.16 12.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -115.34 177.43 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 62.34 34.76 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.62 125.98 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.71 110.88 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD2' ' HA3' ' A' ' 94' ' ' GLY . 8.8 mp -95.5 117.59 30.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.75 129.56 56.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -109.39 104.2 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.65 -19.76 18.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -158.82 146.17 13.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 0.0 111.151 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 6.1 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.06 -24.58 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.464 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 51.0 p -144.93 150.85 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 68' ' ' LEU . 11.3 tp -126.56 118.63 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.39 140.12 36.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 p -146.35 127.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -126.95 179.69 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -172.12 172.7 4.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.6 m -98.85 111.74 61.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 138.12 37.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -164.12 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.7 tp -93.58 -49.03 6.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.43 156.47 5.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.559 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -72.08 122.28 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.346 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 ' CE1' ' A' ' 82' ' ' TYR . 77.8 t -108.18 97.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.15 -58.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.504 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.7 p80 -151.89 159.82 43.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 47.1 m-85 -104.86 97.82 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -65.17 100.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.52 143.26 27.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 p -145.9 110.44 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' CD1' HD22 ' A' ' 65' ' ' LEU . 25.6 p90 -111.8 148.0 34.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -174.79 165.85 2.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.1 p -167.04 124.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.4 m -122.76 130.61 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.077 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -78.77 147.91 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 57' ' ' PRO . 84.5 t -141.05 134.84 14.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' N ' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.75 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.55 -35.86 0.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.17 -40.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -106.86 151.83 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -114.85 23.39 12.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -152.7 153.92 34.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -162.01 158.52 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 19.1 m -115.39 137.98 51.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.557 HD22 ' CD1' ' A' ' 42' ' ' TYR . 18.4 mt -104.91 95.39 8.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.46 2.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 54.62 55.01 8.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 74' ' ' TYR . 34.2 mt -116.58 166.46 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -98.16 -174.78 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.58 148.73 37.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 57.24 53.92 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.8 m -156.37 145.04 20.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -88.96 172.9 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 51.4 m-85 -157.21 112.18 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -69.55 93.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.3 t -81.35 100.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 mp -97.1 106.95 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.9 t -107.07 139.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -136.46 141.06 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -87.78 122.63 31.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.504 HG13 ' CE1' ' A' ' 37' ' ' HIS . 11.5 mm -93.63 135.98 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.566 ' CE1' HG22 ' A' ' 35' ' ' VAL . 72.8 m-85 -130.82 161.29 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.79 -46.13 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.13 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.31 -169.11 30.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 7.7 ptt180 -115.46 136.95 52.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.8 p -66.79 177.17 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.72 -178.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.62 131.63 55.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -102.99 124.85 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 p -87.36 155.58 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.16 118.38 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.9 p -95.18 118.49 32.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.47 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -126.42 96.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -54.83 132.72 46.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 p -68.53 177.03 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.885 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 31.3 mtm180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -126.75 118.84 22.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.77 59.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -112.8 177.85 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 62.69 36.38 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 90' ' ' VAL . 11.6 mt -59.65 122.53 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.55 104.81 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CD2' ' HA3' ' A' ' 94' ' ' GLY . 8.8 mp -87.03 113.69 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.88 122.77 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.436 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 26.7 t -99.04 115.22 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -103.09 -35.48 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.66 145.98 59.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.83 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.359 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.01 -5.54 9.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -150.14 148.54 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 11.9 tp -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -81.55 138.55 35.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 p -139.59 128.49 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 p -126.52 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -166.96 168.8 13.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 m -96.22 110.65 53.36 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.552 0.691 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 137.71 35.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -173.75 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.5 -43.09 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.71 133.27 52.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 123.65 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -114.74 110.09 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -46.04 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.566 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.2 p80 -142.79 170.42 15.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -118.75 104.02 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -70.78 105.5 3.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -97.58 135.74 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.47 HG23 ' CB ' ' A' ' 53' ' ' SER . 7.6 p -140.35 105.6 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.416 ' CD1' HD22 ' A' ' 65' ' ' LEU . 52.0 p90 -101.2 146.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.02 163.02 26.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.47 ' CB ' HG23 ' A' ' 41' ' ' THR . 77.7 p -155.54 111.63 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG21 ' CD2' ' A' ' 65' ' ' LEU . 35.7 m -106.86 138.7 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -83.47 147.18 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 78.2 t -132.94 136.96 28.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.482 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 54.1 Cg_endo -69.75 111.59 2.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.88 -39.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -38.09 -45.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.482 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.3 ptp180 -105.44 158.44 16.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -115.89 36.13 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -164.49 163.48 22.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.453 ' CG1' HD13 ' A' ' 40' ' ' LEU . 6.0 p -169.13 147.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -97.7 134.14 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD2' HG21 ' A' ' 54' ' ' VAL . 9.6 mt -103.9 95.47 7.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.08 11.46 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 64.47 52.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.669 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 30.9 mt -120.79 174.66 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -89.45 -174.51 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 97' ' ' ALA . . . -103.27 -33.01 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -134.56 69.74 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 73' ' ' LYS . 76.2 m -152.17 140.62 20.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 72' ' ' THR . 2.0 mppt? -84.74 145.67 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.669 ' CE2' ' CD2' ' A' ' 68' ' ' LEU . 22.0 m-85 -135.77 112.82 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -67.76 97.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.408 ' CG2' HD22 ' A' ' 16' ' ' LEU . 93.4 t -81.99 107.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mp -101.94 111.51 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.2 t -111.94 142.89 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 49.5 m -146.87 125.61 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.38 129.85 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 37' ' ' HIS . 1.1 mp -99.4 131.59 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 80.2 m-85 -123.82 169.12 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.58 -45.28 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 -52.48 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.49 40.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -87.7 143.11 27.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 99.5 p -77.14 173.35 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -48.79 177.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.02 129.91 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 14' ' ' LEU . 3.2 m -100.57 126.8 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 p -95.61 152.84 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.05 120.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.4 p -87.92 134.68 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.471 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -145.4 91.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -49.6 151.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 p -86.36 173.08 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 70' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.564 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 62.3 mtm180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -119.38 121.26 30.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 159.39 53.6 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 126.01 12.79 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -116.41 178.05 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 62.49 41.34 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 90' ' ' VAL . 12.9 mt -63.44 131.24 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.63 105.86 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 HD21 ' N ' ' A' ' 94' ' ' GLY . 8.4 mp -91.27 117.18 29.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.54 132.92 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -109.14 113.49 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -107.16 -30.18 8.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.95 145.1 37.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.91 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.8 -4.31 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -159.34 147.91 17.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . 5.9 tp -126.94 127.8 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -81.13 142.63 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -148.02 129.18 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -131.38 177.9 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CD1' ' OG ' ' A' ' 61' ' ' SER . 36.5 p90 -172.69 174.22 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -102.66 121.43 49.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.568 0.699 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.59 40.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 173.75 10.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -48.41 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.8 128.22 10.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.24 155.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -130.86 106.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -38.18 -55.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.562 ' CE1' HG12 ' A' ' 81' ' ' ILE . 6.5 p80 -157.52 156.8 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.528 ' CE1' HG11 ' A' ' 35' ' ' VAL . 24.7 m-85 -105.08 105.18 15.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CE2' ' OG ' ' A' ' 53' ' ' SER . 18.2 t-105 -81.14 104.08 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 HD21 ' CG1' ' A' ' 76' ' ' VAL . 1.2 tt -97.66 136.06 38.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -129.61 85.52 2.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -87.65 150.36 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -174.12 162.94 2.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' A' ' 39' ' ' TRP . 8.6 t -152.23 147.72 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.5 m -142.86 126.11 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.86 146.98 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 98.4 t -137.69 139.17 26.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.8 Cg_endo -69.78 107.98 1.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.515 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.01 -37.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -39.29 -50.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.48 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.1 ptp180 -99.26 157.59 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.519 ' OG ' ' CD1' ' A' ' 28' ' ' TRP . 2.2 t -117.72 27.46 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -150.03 148.17 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.09 163.89 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -120.52 136.38 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 9.1 mt -106.44 95.3 11.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.68 177.49 5.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.377 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.1 t0 57.49 53.9 7.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' A' ' 74' ' ' TYR . 20.8 mt -108.99 171.57 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -102.94 -177.48 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.87 131.57 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.09 44.98 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.8 m -153.94 105.75 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -56.95 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CE1' HD22 ' A' ' 68' ' ' LEU . 32.7 m-85 -151.16 108.55 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' ALA . 10.7 ttm-85 -58.02 93.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.417 ' CG1' HD21 ' A' ' 40' ' ' LEU . 42.2 t -82.72 106.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.09 107.84 19.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.47 151.63 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 23.1 m -150.1 126.73 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.31 125.87 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.58 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -98.07 136.68 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 72.1 m-85 -130.77 169.68 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.24 -43.64 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.94 -40.79 45.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.56 177.93 44.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -99.81 148.12 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -81.27 174.79 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -53.23 168.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.86 135.89 44.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 14' ' ' LEU . 3.6 m -106.47 117.2 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 p -87.67 155.27 20.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.73 124.62 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.1 p -96.12 125.38 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.456 ' N ' HD21 ' A' ' 16' ' ' LEU . . . -132.05 90.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.544 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -47.84 127.72 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.391 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.7 p -71.22 -178.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 5.4 mtp-105 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.828 0.346 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -139.38 112.43 7.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.83 68.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.64 9.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -106.94 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 62.4 35.97 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.86 131.8 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.64 109.93 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 94' ' ' GLY . 9.7 mp -90.3 119.35 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.14 123.9 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -100.79 113.28 26.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.79 -30.76 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.83 147.45 35.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.15 -9.68 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 m -154.34 153.58 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' N ' HD11 ' A' ' 68' ' ' LEU . 5.7 tp -133.46 121.53 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' NE2' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -76.23 144.74 40.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 p -148.02 121.5 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -121.7 170.94 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CE2' ' O ' ' A' ' 61' ' ' SER . 26.2 p90 -172.66 168.33 5.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.1 m -96.53 114.65 64.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 141.95 46.31 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -173.94 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -95.19 -42.77 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.83 149.17 5.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 96.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 38' ' ' TYR . 3.9 p -97.46 112.74 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.89 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.463 ' CE1' HG13 ' A' ' 81' ' ' ILE . 5.0 p80 -136.37 174.68 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CE1' HG22 ' A' ' 35' ' ' VAL . 44.9 m-85 -116.32 93.41 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.01 107.76 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 41' ' ' THR . 0.5 OUTLIER -95.91 156.13 16.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 40' ' ' LEU . 17.9 p -164.89 104.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.529 ' CD1' HD22 ' A' ' 65' ' ' LEU . 20.3 p90 -100.48 166.12 11.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.482 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -160.14 169.43 10.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.689 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 17.0 mmtp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.439 ' CB ' HG23 ' A' ' 41' ' ' THR . 83.3 p -161.25 141.79 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.482 ' CG2' HD23 ' A' ' 40' ' ' LEU . 17.4 m -139.89 142.1 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -88.11 144.22 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.01 131.5 19.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.9 18.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.461 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -46.9 -32.72 6.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.93 -45.42 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.9 148.36 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.453 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 88.6 p -107.55 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.62 170.04 16.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 p -166.03 157.19 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.414 ' OG1' ' NE2' ' A' ' 25' ' ' GLN . 10.7 m -114.85 133.77 55.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.529 HD22 ' CD1' ' A' ' 42' ' ' TYR . 36.5 mt -102.98 96.57 8.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.71 -175.68 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.385 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 46.68 53.42 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 74' ' ' TYR . 12.6 mt -108.08 165.17 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -95.54 -175.19 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.08 152.93 28.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.44 46.71 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -153.69 105.75 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -57.74 163.7 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.517 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 35.6 m-85 -140.12 110.3 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -61.13 98.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.8 t -86.05 117.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mp -110.26 112.96 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.8 t -114.12 140.98 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -139.09 135.15 33.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -81.93 119.81 24.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 37' ' ' HIS . 16.2 mm -87.71 147.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 8' ' ' ARG . 65.9 m-85 -145.28 160.77 41.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.43 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.62 17.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.99 -160.0 11.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 6.4 ptt180 -125.64 131.18 52.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.346 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.4 p -58.29 167.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -52.26 176.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.83 130.74 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.7 m -102.33 124.91 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 p -90.82 153.82 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.01 121.67 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -98.74 129.18 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.414 ' N ' HD21 ' A' ' 16' ' ' LEU . . . -134.81 94.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -47.39 120.8 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -64.0 -179.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.549 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.6 mtm105 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 t -117.4 123.59 29.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.708 0.766 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 127.14 14.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.383 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -113.28 177.54 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 57.7 45.7 18.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.52 128.08 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.79 105.82 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 94' ' ' GLY . 9.9 mp -92.35 103.9 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.93 129.41 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.419 ' CB ' HD11 ' A' ' 24' ' ' LEU . 3.2 p -108.61 126.99 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.51 -22.64 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -142.08 148.0 46.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 111.187 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -2.96 11.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.13 -2.07 17.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -152.33 171.42 18.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 6.6 tp -145.7 127.84 15.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' ALA . 1.9 tt0 -93.24 137.09 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -143.96 141.22 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -139.64 -179.6 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.6 p90 -170.54 171.27 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.8 m -93.51 115.17 64.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.6 19.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.46 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -100.3 -41.74 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.83 152.51 2.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 89.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.407 ' HB ' ' CE1' ' A' ' 82' ' ' TYR . 4.8 p -89.3 116.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.76 -68.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.561 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.3 p80 -137.87 174.98 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.401 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 66.4 m-85 -118.36 97.46 5.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -67.22 113.99 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CD1' HG11 ' A' ' 63' ' ' VAL . 1.1 tt -106.18 136.45 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 p -134.78 93.12 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -91.81 144.25 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.61 159.08 17.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.133 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 p -164.02 141.34 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.5 131.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -71.83 150.53 44.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.5 t -142.13 130.29 11.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 54.1 Cg_endo -69.73 119.88 6.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.401 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.45 -35.25 2.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.85 -42.43 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.069 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.477 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 8.6 ptp180 -108.16 144.26 35.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -102.47 25.32 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -151.0 162.68 40.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.409 HG11 ' CD1' ' A' ' 40' ' ' LEU . 7.8 p -163.12 155.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 m -109.38 141.81 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.5 93.28 22.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 171.65 14.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.97 55.02 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.659 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 30.8 mt -120.7 157.87 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.93 -177.68 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.84 146.24 38.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.75 43.29 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 73' ' ' LYS . 33.9 m -140.38 143.92 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.605 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -84.41 166.06 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.659 ' CE2' ' CD2' ' A' ' 68' ' ' LEU . 33.4 m-85 -155.16 105.35 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.67 90.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.09 107.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -102.54 106.18 16.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.85 139.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.7 m -142.11 130.15 21.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.79 126.05 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -97.0 130.51 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 87.4 m-85 -123.53 165.11 17.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.6 -50.72 31.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.14 43.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.36 167.98 39.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -88.11 144.85 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.42 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 85.6 p -77.79 175.02 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -50.44 173.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.94 133.08 55.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.5 m -106.79 123.48 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.4 p -90.8 156.72 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.53 123.58 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 p -89.91 120.72 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.464 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -124.05 91.53 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -56.94 123.42 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.452 HG23 ' CE1' ' A' ' 74' ' ' TYR . 35.1 p -61.46 178.27 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.84 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -122.39 122.46 27.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.81 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 158.12 58.03 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 126.71 13.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -117.01 177.38 4.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 61.84 35.19 16.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mt -56.41 128.77 37.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.89 106.07 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 94' ' ' GLY . 10.5 mp -93.01 116.68 29.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.72 132.13 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -110.3 114.6 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.23 -32.11 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 22' ' ' ASP . 1.7 t -142.42 145.34 34.46 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 9.23 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -111.19 -19.09 12.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -150.21 159.54 44.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' N ' HD11 ' A' ' 68' ' ' LEU . 9.3 tp -135.19 119.66 18.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -79.09 143.87 35.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 16' ' ' LEU . 4.7 p -148.73 127.79 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.27 175.2 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -166.28 172.62 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.4 m -96.0 115.4 65.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 0.0 111.196 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.07 22.53 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -101.05 -39.26 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.89 167.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -84.48 96.95 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.12 121.82 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.82 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.556 ' CE1' HG13 ' A' ' 81' ' ' ILE . 5.4 p80 -138.67 166.22 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.453 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 31.3 m-85 -112.21 90.94 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -61.49 99.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 1.4 tt -99.41 133.11 44.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 p -133.67 113.5 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.594 ' CZ ' ' CB ' ' A' ' 52' ' ' LYS . 23.3 p90 -106.15 141.23 37.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -148.65 159.32 38.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 57.8 mmtt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 m -164.21 124.88 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -108.12 157.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.9 p -100.21 150.2 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.405 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.3 t -136.77 134.66 19.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.405 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 54.2 Cg_endo -69.69 0.1 6.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . 74.67 -47.97 1.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -93.73 145.82 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.9 p -103.73 27.67 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -155.56 172.29 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 40' ' ' LEU . 9.5 p -173.99 154.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 m -114.84 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.2 mt -103.51 94.87 6.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 174.26 9.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.297 . . . . 0.0 112.275 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 57.39 54.99 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 13.3 mt -113.06 169.63 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -108.38 -175.19 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.87 148.06 39.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.58 48.57 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -151.96 142.78 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.3 mppt? -85.68 166.61 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.629 ' CE2' ' CD2' ' A' ' 68' ' ' LEU . 32.4 m-85 -151.14 111.03 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' CD ' HD13 ' A' ' 77' ' ' LEU . 8.8 ttm180 -71.74 94.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.2 t -78.38 108.81 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.41 HD13 ' CD ' ' A' ' 75' ' ' ARG . 2.2 mp -106.89 105.84 16.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.51 143.61 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -143.28 125.3 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.66 120.62 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.556 HG13 ' CE1' ' A' ' 37' ' ' HIS . 7.1 mm -89.14 145.42 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -139.61 158.85 43.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.26 -51.67 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.57 -52.27 22.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.47 -169.33 32.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.458 ' CB ' HD11 ' A' ' 81' ' ' ILE . 5.3 ptt-85 -115.82 134.89 54.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -63.92 175.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -52.58 -176.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 125.78 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.2 m -95.62 124.46 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 p -90.17 154.81 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.6 136.0 11.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.5 p -106.51 114.78 29.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.478 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -127.36 90.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.67 142.64 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.522 HG21 ' CE1' ' A' ' 74' ' ' TYR . 2.3 p -85.47 169.51 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 24.6 mtm105 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -120.33 128.95 25.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 155.35 66.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 53.4 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m -111.86 177.79 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 63.37 37.66 10.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.1 129.79 43.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 109.28 8.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 94' ' ' GLY . 9.0 mp -98.91 117.24 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.37 138.74 50.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -115.33 109.4 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' CG ' HG21 ' A' ' 20' ' ' THR . 8.4 pt-20 -111.85 -13.87 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.452 HG21 ' CG ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -148.98 137.04 11.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 111.164 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.73 2.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.63 -0.9 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' THR . 3.1 m -162.37 154.88 19.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' N ' HD11 ' A' ' 68' ' ' LEU . 10.1 tp -132.13 130.17 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -84.56 134.74 34.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.9 p -140.81 128.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -132.95 -179.29 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.4 p90 -172.58 172.41 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -94.47 113.95 62.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.29 32.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -168.66 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.55 -31.12 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.09 144.99 43.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -64.0 109.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.53 120.34 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.2 mt -50.75 -65.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.571 ' CE1' HG12 ' A' ' 81' ' ' ILE . 19.6 p80 -145.44 -178.8 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 74.7 m-85 -120.56 91.67 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -60.29 101.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' CD1' HG11 ' A' ' 63' ' ' VAL . 1.2 tt -94.19 140.1 30.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.428 HG22 ' CB ' ' A' ' 53' ' ' SER . 26.3 p -143.01 105.83 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -103.26 149.64 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.83 162.77 26.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.325 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.428 ' CB ' HG22 ' A' ' 41' ' ' THR . 6.4 m -160.94 116.35 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.62 133.29 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.9 t -80.1 143.29 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.418 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 89.8 t -132.45 137.2 29.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.487 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.6 Cg_endo -69.83 111.01 2.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.15 -35.7 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.69 -45.26 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.487 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.4 ptp180 -105.05 150.01 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -110.3 30.78 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -154.75 153.28 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 40' ' ' LEU . 7.9 p -159.99 170.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -127.89 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 5.1 mt -109.47 95.78 20.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.81 179.85 3.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.8 54.43 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 74' ' ' TYR . 38.4 mt -113.89 163.49 15.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 179.81 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.4 146.69 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 58.63 46.88 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 73' ' ' LYS . 35.7 m -147.6 143.32 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.563 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 3.6 mppt? -86.54 172.92 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 67.1 m-85 -158.57 116.21 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' NE ' HD11 ' A' ' 77' ' ' LEU . 8.2 ttt180 -72.4 92.3 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.2 t -79.41 92.69 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.463 HD11 ' NE ' ' A' ' 75' ' ' ARG . 3.6 mp -89.51 113.0 24.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 79' ' ' SER . 39.3 t -106.34 151.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.462 ' N ' HG11 ' A' ' 78' ' ' VAL . 1.7 p -151.17 130.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.513 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -86.21 121.79 29.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.586 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.53 119.12 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.556 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 70.0 m-85 -111.87 167.28 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.42 -44.19 62.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.36 -48.39 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.77 178.14 47.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -98.56 138.82 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -73.78 177.24 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.48 -177.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.37 128.93 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 m -102.28 124.7 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.2 p -85.07 162.32 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.434 ' HB1' ' CD1' ' A' ' 16' ' ' LEU . . . -166.2 117.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.5 p -93.35 116.43 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.469 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -124.64 95.1 0.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.69 128.53 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.8 p -72.22 176.8 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.585 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.0 ptt85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.8 123.95 39.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.24 53.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -131.96 177.21 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 61.19 44.37 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.6 130.32 43.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.76 105.33 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 94' ' ' GLY . 8.5 mp -94.61 112.16 23.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.92 127.43 55.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.0 t -103.81 110.23 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' CG ' HG23 ' A' ' 20' ' ' THR . 13.2 pt-20 -105.39 -23.89 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.422 HG23 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -145.98 146.44 28.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.571 0.701 . . . . 0.0 111.142 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.16 3.78 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.24 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -119.76 -6.1 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.42 ' CB ' HG22 ' A' ' 20' ' ' THR . 0.7 OUTLIER -148.1 145.67 28.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 12.3 tp -131.99 116.47 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.92 140.17 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 p -150.0 121.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -124.64 176.64 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -166.82 177.96 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 83.0 m -100.08 117.38 63.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.528 0.68 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 136.06 31.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.55 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.1 tp -93.47 -34.55 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.52 130.64 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -48.57 131.4 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG11 ' CZ ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -123.76 125.68 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.31 -62.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.426 ' CE1' HG12 ' A' ' 81' ' ' ILE . 7.9 p80 -150.87 -179.93 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.465 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 39.8 m-85 -121.8 93.87 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.85 97.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.11 135.3 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.7 p -134.43 102.74 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.448 ' CG ' HD11 ' A' ' 65' ' ' LEU . 29.0 p90 -104.74 142.47 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -163.58 165.86 13.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.1 p -167.55 122.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.79 144.75 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -87.45 150.84 23.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -146.16 135.05 11.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' GLY . 53.7 Cg_endo -69.74 111.95 2.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -36.84 -36.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.15 -46.45 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -97.27 157.1 16.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -118.56 24.56 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -153.47 151.03 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 p -157.79 161.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.6 m -122.15 139.93 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.448 HD11 ' CG ' ' A' ' 42' ' ' TYR . 16.8 mt -102.31 97.34 8.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' C ' ' CG ' ' A' ' 67' ' ' ASP . 54.1 Cg_endo -69.77 -179.47 2.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.47 ' CG ' ' C ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 49.34 53.01 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 74' ' ' TYR . 13.0 mt -107.96 176.34 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -110.31 -174.5 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.82 157.64 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 47.8 52.12 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 m -152.89 144.88 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.442 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.4 mptt -91.5 160.77 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.564 ' CE2' HD21 ' A' ' 68' ' ' LEU . 36.7 m-85 -146.35 105.73 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HD3' ' CD1' ' A' ' 77' ' ' LEU . 4.5 ttt85 -67.98 91.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.39 114.54 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 75' ' ' ARG . 2.5 mp -109.35 106.94 16.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.78 148.62 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -149.69 125.99 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.553 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -83.33 123.14 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -92.12 131.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 8' ' ' ARG . 86.5 m-85 -126.27 154.91 42.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.32 -43.38 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.5 -52.44 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.5 164.06 33.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -86.25 134.45 33.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.2 p -69.98 173.75 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.95 169.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.49 139.62 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.66 118.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 p -84.3 156.95 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.74 120.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 p -93.0 119.32 32.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.466 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -129.24 91.83 0.32 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -52.5 134.87 34.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 p -74.35 -176.82 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.443 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 27.0 mtm105 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -101.47 114.31 65.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.718 0.771 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 159.0 55.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 126.69 13.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.83 177.25 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.12 36.32 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD13 ' CG2' ' A' ' 90' ' ' VAL . 12.0 mt -61.24 130.19 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.27 120.9 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 94' ' ' GLY . 9.9 mp -102.27 117.87 35.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 124.51 52.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.47 ' CA ' HD11 ' A' ' 24' ' ' LEU . 20.1 t -97.5 122.24 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CG ' HG22 ' A' ' 20' ' ' THR . 5.6 pt-20 -115.46 -26.42 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.411 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -149.45 146.34 20.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' LEU . 53.5 Cg_endo -69.8 4.01 2.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.5 -22.54 12.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.3 p -151.51 156.87 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD11 ' CA ' ' A' ' 18' ' ' SER . 5.7 tp -131.1 134.89 47.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -85.88 142.43 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.43 135.49 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -133.8 170.05 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -168.68 162.42 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.3 m -88.82 117.1 67.95 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.586 0.708 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 136.78 34.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -168.78 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tp -99.68 -39.91 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.96 155.4 4.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 99.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -99.11 133.02 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.34 -56.44 4.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.949 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.433 ' CE1' HG12 ' A' ' 81' ' ' ILE . 5.8 p80 -146.73 176.03 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.468 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 34.4 m-85 -120.79 94.16 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -62.6 94.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.7 tt -89.48 140.08 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -139.1 106.66 5.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -105.99 147.54 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -171.28 163.27 5.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 m -166.22 123.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.23 142.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 t -85.55 149.48 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.51 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.0 t -130.08 137.24 30.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.51 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 53.2 Cg_endo -69.83 -0.67 7.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.38 -48.83 1.87 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.81 -41.72 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.475 ' HD3' ' CG ' ' A' ' 57' ' ' PRO . 13.4 ptt180 -94.42 135.17 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -96.15 32.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -159.68 159.97 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 40' ' ' LEU . 8.3 p -166.18 147.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -100.01 136.55 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.24 94.65 7.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.78 7.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.372 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.21 55.0 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 74' ' ' TYR . 29.2 mt -115.97 160.48 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.8 -176.96 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.16 149.97 29.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 55.5 48.4 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -150.99 143.09 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.1 mppt? -86.74 170.19 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.571 ' CE2' HD22 ' A' ' 68' ' ' LEU . 59.9 m-85 -155.96 106.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.02 103.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 t -89.83 113.25 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mp -108.32 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 t -111.83 158.94 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 9.6 m -158.06 128.18 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.471 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -79.46 125.34 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.591 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.29 120.33 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 80' ' ' ALA . 61.2 m-85 -113.33 162.33 16.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.93 -48.56 11.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.96 -57.53 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.53 168.95 41.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -88.3 142.58 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.6 p -75.94 177.03 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.72 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.08 125.04 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.42 ' CG2' HD13 ' A' ' 14' ' ' LEU . 3.3 m -99.41 123.61 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -95.68 153.47 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.61 144.91 18.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.3 p -107.94 136.32 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.476 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -147.57 92.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -49.36 141.52 8.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.453 HG23 ' CE1' ' A' ' 74' ' ' TYR . 9.5 p -84.15 -178.6 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 45.9 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -114.72 120.01 38.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.735 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 160.16 50.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.02 14.0 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -117.86 177.53 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 62.21 34.99 15.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD13 ' CG2' ' A' ' 90' ' ' VAL . 13.5 mt -61.51 130.35 45.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.31 117.01 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -98.85 117.7 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.04 131.3 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -104.38 122.22 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.1 -3.73 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 22' ' ' ASP . 3.4 t -175.56 145.25 0.81 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 18.56 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.8 p30 -128.17 -11.18 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -151.17 153.81 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 11.2 tp -137.06 111.5 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.96 145.23 55.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 p -150.19 131.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.4 t -134.35 -178.76 5.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -175.19 -177.91 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -110.14 118.17 50.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 138.69 38.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -98.03 -29.97 12.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.81 147.85 50.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.518 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.36 106.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.35 131.54 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.55 -62.62 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.491 ' CE1' HG12 ' A' ' 81' ' ' ILE . 6.4 p80 -143.51 -175.5 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -127.31 94.34 3.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.72 100.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 tt -93.63 140.83 29.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -145.78 105.18 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.488 ' CZ ' ' CB ' ' A' ' 52' ' ' LYS . 51.8 p90 -98.85 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -169.54 162.34 7.21 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 64.7 mmtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 m -161.25 136.84 7.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.96 161.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.407 ' C ' HG21 ' A' ' 56' ' ' VAL . 80.8 p -102.35 154.76 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.407 HG21 ' C ' ' A' ' 55' ' ' SER . 93.8 t -142.63 131.64 11.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' GLY . 53.2 Cg_endo -69.78 112.97 3.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.23 -36.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.51 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -103.95 157.92 16.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -115.3 16.41 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -142.03 159.61 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.5 p -161.9 -179.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -134.29 135.82 43.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 mt -103.24 95.85 7.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.51 5.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 54.6 54.3 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.501 HD23 ' CZ ' ' A' ' 74' ' ' TYR . 14.9 mt -112.83 160.01 18.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -85.65 -174.85 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.72 150.45 36.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.87 40.0 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -153.22 112.93 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -64.09 177.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.501 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 29.8 m-85 -148.91 111.18 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' ALA . 16.2 ttm180 -57.45 100.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.9 t -86.34 116.27 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -112.79 107.06 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 t -105.3 147.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.44 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -146.73 124.47 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 82' ' ' TYR . . . -77.8 127.52 32.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.32 131.71 44.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 8' ' ' ARG . 78.1 m-85 -122.55 163.76 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.46 -44.79 25.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.97 -50.13 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.36 -176.4 41.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -105.39 141.55 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.9 p -74.78 173.18 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.95 178.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.69 134.68 54.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.438 ' CG2' HD13 ' A' ' 14' ' ' LEU . 3.8 m -105.31 119.78 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -156.75 127.78 6.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.7 p -99.0 128.95 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -140.93 95.99 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.44 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 48.2 tt0 -50.46 136.61 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -178.77 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.809 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 64.3 mtm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -131.04 120.8 18.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 127.22 14.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.704 2.27 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.51 175.42 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 62.49 42.38 8.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD11 ' CB ' ' A' ' 92' ' ' ALA . 12.3 mt -63.55 129.8 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 105.93 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.063 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 94' ' ' GLY . 9.2 mp -91.07 116.03 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.89 125.76 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 t -98.99 123.78 43.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -116.2 -27.58 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.91 147.22 31.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.116 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 4.62 2.09 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -120.68 -3.36 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -155.23 150.74 27.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' N ' HD11 ' A' ' 68' ' ' LEU . 6.8 tp -133.96 121.59 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.01 139.61 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -142.68 125.26 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 p -125.42 169.11 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CH2' HD11 ' A' ' 40' ' ' LEU . 30.7 p90 -166.23 172.08 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.8 m -95.46 115.35 65.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.46 21.3 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -173.09 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -97.55 -43.73 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.44 138.23 18.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 102.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 38' ' ' TYR . 3.4 p -106.99 112.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.6 -68.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.573 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.0 p80 -139.2 162.64 34.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.514 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 96.9 m-85 -105.69 91.81 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -58.32 106.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.534 HD11 ' CH2' ' A' ' 28' ' ' TRP . 1.1 tt -100.04 132.7 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 p -131.72 91.91 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.558 ' CD2' HD21 ' A' ' 65' ' ' LEU . 26.7 p90 -90.93 140.8 29.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -168.47 168.88 5.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 25.3 mmtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.771 0.32 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.3 p -156.71 152.62 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.8 148.63 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.2 p -90.65 141.43 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -135.5 125.5 16.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' GLY . 54.1 Cg_endo -69.74 119.41 6.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.401 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.478 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.57 -38.71 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.27 -44.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -104.71 156.54 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -117.56 35.92 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -165.91 166.56 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 p -170.56 152.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -103.06 135.53 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.558 HD21 ' CD2' ' A' ' 42' ' ' TYR . 12.0 mt -103.62 94.72 6.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.2 Cg_endo -69.77 -179.38 2.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.74 55.02 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 19.4 mt -115.06 162.86 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -100.09 -175.8 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.52 146.68 40.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 59.35 50.99 7.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.0 m -157.29 131.18 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 2.4 mppt? -79.84 154.05 28.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE2' ' CD2' ' A' ' 68' ' ' LEU . 20.0 m-85 -134.91 98.18 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' ALA . 2.6 ttm180 -53.68 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.4 t -80.5 118.75 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.16 107.84 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 79' ' ' SER . 46.9 t -107.52 146.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.459 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.2 m -144.55 120.45 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.446 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -73.1 121.08 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 37' ' ' HIS . 18.8 mm -88.02 143.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 58.7 m-85 -136.17 159.73 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.12 -48.74 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.83 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.58 -164.42 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.446 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 2.8 ptt180 -119.38 137.1 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.3 p -64.33 171.32 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -50.39 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.58 119.78 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 m -95.72 129.06 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.8 p -90.22 161.85 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.407 ' CB ' HD11 ' A' ' 14' ' ' LEU . . . -163.25 125.85 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 p -98.47 123.77 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.462 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -135.25 98.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.52 135.31 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 p -77.35 -178.76 5.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.853 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -72.19 -59.56 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -87.46 132.71 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.17 120.16 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -130.5 151.58 50.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -84.62 90.28 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.81 -50.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.563 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 81.4 mtm180 -109.93 115.21 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -118.45 122.71 29.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 158.45 56.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 126.89 13.86 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -119.38 178.05 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 64.28 34.6 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.57 131.41 50.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.82 109.76 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 94' ' ' GLY . 9.6 mp -94.79 112.02 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.13 126.44 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 8.6 t -102.54 114.79 29.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.07 -20.34 13.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.5 146.92 20.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.131 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.19 2.93 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.293 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.5 -10.28 11.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -149.04 155.44 40.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 68' ' ' LEU . 5.9 tp -137.04 119.14 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.4 142.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 63' ' ' VAL . 2.5 p -150.39 129.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 t -132.85 -177.1 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 p90 -174.03 167.77 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.7 m -94.25 108.73 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.6 Cg_endo -69.79 142.88 48.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -178.05 2.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -86.79 -29.66 22.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 156.57 52.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 34' ' ' ARG . 1.8 tmm_? -72.2 121.72 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.569 HG22 ' CE1' ' A' ' 82' ' ' TYR . 44.8 t -110.13 124.98 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.17 -61.94 2.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.537 ' CE1' HG12 ' A' ' 81' ' ' ILE . 6.1 p80 -148.55 170.35 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 18.2 m-85 -115.87 102.96 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -74.14 100.27 3.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' CD1' HG11 ' A' ' 63' ' ' VAL . 1.4 tt -94.31 135.01 36.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 p -134.98 89.35 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.46 ' CD1' HD21 ' A' ' 65' ' ' LEU . 34.0 p90 -92.57 155.6 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -172.7 168.57 2.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.5 Cg_endo -69.76 97.61 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -35.79 -44.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 p -41.71 -48.8 4.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.74 55.67 1.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -121.83 -41.39 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.36 -179.82 32.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 174.58 9.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.288 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -101.95 138.23 39.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -106.95 -177.66 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.0 p -169.84 137.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG21 ' CD2' ' A' ' 65' ' ' LEU . 22.3 m -134.94 133.47 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -79.12 153.09 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 93.3 t -148.08 138.83 13.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 53.9 Cg_endo -69.71 109.01 2.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.464 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.92 -29.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -45.88 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -102.39 151.57 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.425 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 20.3 p -109.8 35.93 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -159.66 162.07 35.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 64' ' ' THR . 7.2 p -169.41 146.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.427 ' N ' HG21 ' A' ' 63' ' ' VAL . 6.5 m -105.56 134.18 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 42' ' ' TYR . 13.3 mt -104.05 95.17 7.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.8 179.82 3.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.305 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.24 50.52 13.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 23.9 mt -108.98 163.75 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -94.77 -175.48 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.26 158.1 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 40.91 51.26 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -158.35 116.22 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -70.37 176.55 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 32.2 m-85 -149.46 125.46 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -73.25 92.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.6 t -81.36 114.87 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp -111.84 106.87 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -101.24 154.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.18 128.78 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.14 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -97.14 128.25 48.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE1' HG22 ' A' ' 35' ' ' VAL . 79.4 m-85 -119.65 171.15 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.08 -44.95 75.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.79 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.57 178.38 44.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -100.52 142.9 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.5 p -76.49 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -52.12 -179.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.32 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -107.76 117.86 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -88.94 153.85 20.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.2 115.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.0 p -90.97 130.14 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.465 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -136.27 108.42 0.67 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -55.36 132.57 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 179.76 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -85.71 156.52 20.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.6 p -85.74 148.09 47.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 130.81 20.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.1 t -157.85 120.36 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.48 161.5 34.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 126.74 13.66 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.1 t -145.65 145.18 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.5 p -99.29 41.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.459 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -60.82 -55.28 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -112.01 107.03 15.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.13 157.36 8.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -151.79 151.32 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -96.7 -51.27 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.44 143.47 5.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.569 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 53.4 mtm180 -145.26 137.34 25.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.6 t -126.6 120.92 23.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.902 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 159.02 55.0 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.398 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.62 8.31 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -114.88 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' CD1' HG21 ' A' ' 90' ' ' VAL . 11.7 mt -66.98 120.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.32 100.45 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 94' ' ' GLY . 9.3 mp -79.55 114.64 18.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.95 121.68 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.5 t -96.2 118.0 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -108.39 -32.26 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.34 146.53 45.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.34 0.27 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.28 146.44 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 68' ' ' LEU . 5.7 tp -126.28 126.6 44.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.69 141.34 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 63' ' ' VAL . 1.3 p -138.35 127.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -128.08 137.65 52.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CE2' ' O ' ' A' ' 61' ' ' SER . 47.0 p90 -134.34 172.59 12.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.5 m -102.73 112.02 65.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.55 40.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -171.27 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -89.4 -49.82 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.91 164.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' NH1' HD23 ' A' ' 36' ' ' LEU . 5.8 tmm_? -83.22 114.58 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG22 ' CE1' ' A' ' 82' ' ' TYR . 61.7 t -107.76 124.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.415 HD23 ' NH1' ' A' ' 34' ' ' ARG . 18.6 mt -62.77 -65.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.565 ' CE1' HG12 ' A' ' 81' ' ' ILE . 8.4 p80 -141.33 167.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CE1' HG12 ' A' ' 35' ' ' VAL . 50.4 m-85 -113.5 100.75 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -73.61 101.31 3.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.3 tt -96.15 135.22 38.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 p -135.16 104.88 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.551 ' CD1' HD22 ' A' ' 65' ' ' LEU . 50.5 p90 -98.15 142.84 29.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.33 152.79 31.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' ALA . 53.7 Cg_endo -69.78 91.24 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -34.11 -52.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' ALA . 3.3 m -35.77 -48.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.04 59.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.7 mt -132.53 -40.42 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.43 169.74 19.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -177.6 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.17 121.32 44.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 69.2 mmtt -97.65 163.22 12.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -144.08 133.16 22.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.04 133.58 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -79.7 144.47 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -138.81 136.46 18.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.1 Cg_endo -69.81 119.79 6.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.627 2.218 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -42.31 -37.49 2.46 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.29 -44.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.477 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.8 ptp180 -107.15 160.7 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.439 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 51.8 p -123.96 31.51 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.3 m80 -151.09 148.68 28.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 5.2 p -163.02 152.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 m -105.24 144.73 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.551 HD22 ' CD1' ' A' ' 42' ' ' TYR . 9.3 mt -109.23 94.89 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.78 178.63 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 58.11 53.84 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.512 HD23 ' CZ ' ' A' ' 74' ' ' TYR . 20.9 mt -117.82 168.26 10.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -105.59 -178.41 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.75 159.39 15.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 44.43 47.84 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -155.01 112.0 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -69.17 175.55 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 38.2 m-85 -152.58 123.82 7.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.52 96.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -85.38 116.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.22 109.22 20.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 t -108.6 137.19 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 41.9 m -138.66 128.24 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.5 131.53 37.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -99.27 134.17 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 95.9 m-85 -125.87 162.17 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.11 -45.09 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.25 -54.59 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' CD ' ' A' ' 8' ' ' ARG . . . -172.76 165.0 37.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -83.79 145.56 28.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -79.97 174.48 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.22 175.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.66 128.93 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 14' ' ' LEU . 8.4 m -99.85 127.22 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 p -87.89 159.62 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.95 117.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 p -95.79 124.23 39.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.465 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -132.58 107.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -58.81 128.32 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -67.63 177.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.44 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -80.76 156.39 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 69.1 m -109.31 151.61 42.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -2.76 10.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m -77.71 145.65 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.95 -173.52 18.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.07 10.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.295 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.6 m -114.66 124.85 52.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 t 58.18 41.87 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.541 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -78.74 142.11 37.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -113.82 150.62 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 92.27 -108.19 3.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.9 p -38.08 123.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -90.42 145.55 24.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.68 -69.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.565 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 46.6 mtm180 -91.95 138.62 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 t -129.47 119.69 19.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 158.14 58.03 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 53.2 Cg_endo -69.82 123.91 10.55 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -114.79 178.05 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 63.46 37.56 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.74 126.48 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.65 109.04 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 94' ' ' GLY . 8.4 mp -94.1 115.19 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.85 128.33 56.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 12.4 t -102.78 118.09 36.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' CG ' HG23 ' A' ' 20' ' ' THR . 8.2 pt-20 -114.45 -20.54 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.422 HG23 ' CG ' ' A' ' 19' ' ' GLU . 1.4 t -155.86 145.41 15.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.551 0.691 . . . . 0.0 111.184 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 5.77 1.56 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -110.33 -16.27 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.4 p -153.87 157.93 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 5.9 tp -134.3 119.72 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -72.09 141.65 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.7 128.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -133.23 172.09 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.48 ' CH2' HD12 ' A' ' 40' ' ' LEU . 29.9 p90 -164.42 178.32 7.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 m -104.28 115.58 62.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 140.5 42.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -164.36 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -104.36 -28.52 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.3 145.49 40.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' NE ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -56.82 115.54 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 38' ' ' TYR . 88.9 t -109.68 120.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.41 HD23 ' NE ' ' A' ' 34' ' ' ARG . 51.4 mt -62.99 -61.53 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.512 ' CE1' HG12 ' A' ' 81' ' ' ILE . 5.3 p80 -146.67 169.44 19.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 51.9 m-85 -115.21 99.77 7.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -69.01 101.27 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 ' CH2' ' A' ' 28' ' ' TRP . 1.3 tt -98.53 136.42 38.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.45 HG22 ' CB ' ' A' ' 53' ' ' SER . 2.9 p -139.05 105.68 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 52' ' ' LYS . 49.1 p90 -98.78 151.3 20.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.48 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -150.36 169.11 9.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.317 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.22 34.1 21.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.1 t -153.37 141.57 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.0 52.21 3.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 pp -118.85 -41.61 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -123.06 174.35 16.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 172.56 12.45 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -116.98 126.74 53.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 18.8 mmtp -79.19 166.9 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.45 ' CB ' HG22 ' A' ' 41' ' ' THR . 78.8 p -145.65 147.75 32.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.415 HG23 ' CD2' ' A' ' 65' ' ' LEU . 24.8 m -143.2 147.22 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -93.11 148.04 22.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 88.8 t -139.4 138.62 20.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.481 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.2 Cg_endo -69.78 108.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.632 2.221 . . . . 0.0 112.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.569 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -36.71 -30.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -46.19 -47.56 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 111.068 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.481 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.1 ptp180 -100.34 165.95 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 p -125.04 25.87 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -150.01 149.87 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.9 p -158.8 173.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -129.24 135.91 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' CD2' HG23 ' A' ' 54' ' ' VAL . 10.4 mt -104.13 95.24 7.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.71 177.31 5.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.258 . . . . 0.0 112.337 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.1 t0 61.35 54.83 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.513 HD21 ' CZ ' ' A' ' 74' ' ' TYR . 15.7 mt -114.0 176.71 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -111.73 -174.95 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.23 132.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 72.24 45.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.5 m -158.52 106.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -57.85 178.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.513 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 51.8 m-85 -154.48 120.05 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -69.95 99.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.6 t -88.16 113.57 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mp -104.54 117.05 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.4 ' CG1' ' HG3' ' A' ' 11' ' ' PRO . 7.7 t -116.52 133.97 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 51.0 m -136.85 124.22 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.12 127.21 32.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.587 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -92.91 149.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 85.5 m-85 -142.92 161.23 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.38 -48.97 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.0 -55.28 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.1 38.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.2 ptt85 -85.86 145.09 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.1 p -76.77 175.4 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.15 176.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.54 131.6 56.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.1 120.74 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -89.04 154.33 20.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -160.96 116.76 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.2 p -90.99 125.56 35.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.466 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -130.72 107.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.06 126.15 24.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -71.95 -179.83 2.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -80.49 136.7 36.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 p -67.34 150.43 97.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -7.15 20.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.392 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.8 t -125.97 62.85 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.17 142.45 9.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 100.97 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.4 t -137.8 144.73 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.7 m -118.18 162.31 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -104.7 42.49 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -136.6 114.47 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.24 -96.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -90.9 43.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -40.73 145.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.87 -63.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 23.9 mtm180 -45.5 130.21 8.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -117.33 116.04 37.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.76 55.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.616 2.211 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 124.83 11.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -117.99 178.14 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 62.67 38.36 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.43 121.57 14.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.3 103.72 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD21 ' N ' ' A' ' 94' ' ' GLY . 8.5 mp -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.86 128.31 56.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.9 t -102.64 114.97 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' CG ' HG21 ' A' ' 20' ' ' THR . 4.9 pt-20 -108.42 -30.51 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.426 HG21 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -141.71 144.47 33.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.37 2.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.296 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.18 -4.41 12.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' THR . 4.9 m -157.76 153.83 27.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' N ' HD11 ' A' ' 68' ' ' LEU . 7.4 tp -133.01 120.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -81.9 139.41 34.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.1 p -143.22 126.61 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -123.58 169.94 10.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.73 171.29 15.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 m -96.28 105.66 23.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.62 30.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.89 3.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -85.32 -46.0 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.84 156.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -73.08 111.06 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.464 HG23 ' CE1' ' A' ' 82' ' ' TYR . 53.0 t -106.64 105.46 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -48.7 -66.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.563 ' CE1' HG12 ' A' ' 81' ' ' ILE . 7.7 p80 -140.52 161.56 37.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.459 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 62.0 m-85 -110.02 95.75 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -61.64 99.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 tt -94.18 146.13 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' CB ' ' A' ' 53' ' ' SER . 7.8 p -152.25 105.14 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 52' ' ' LYS . 49.5 p90 -95.63 156.47 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -156.21 166.88 15.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.577 0.703 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.77 3.58 2.7 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 67.08 41.13 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -169.62 140.22 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.83 62.19 4.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mt -124.9 -45.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.59 -179.9 22.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 169.37 19.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -120.13 139.56 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 40.6 mmtt -100.48 178.23 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.453 ' CB ' HG23 ' A' ' 41' ' ' THR . 84.5 p -163.46 127.68 2.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.3 m -126.94 140.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.4 t -85.33 144.82 27.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 57' ' ' PRO . 84.7 t -132.38 135.79 26.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' ALA . 53.6 Cg_endo -69.84 110.26 2.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.36 -33.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -42.19 -48.94 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -103.33 152.8 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -111.13 33.64 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -162.68 153.24 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 64' ' ' THR . 7.6 p -159.05 151.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.46 ' N ' HG21 ' A' ' 63' ' ' VAL . 5.8 m -100.61 137.91 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 22.8 mt -107.4 96.29 15.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.86 179.93 3.4 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.616 2.211 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 57.51 51.79 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 74' ' ' TYR . 13.0 mt -112.52 163.21 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -98.27 -179.09 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.48 143.52 38.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 61.1 42.39 12.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 88.1 m -152.03 105.21 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -56.83 173.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 46.2 m-85 -151.96 114.45 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -70.18 104.91 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.9 t -87.94 117.36 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mp -106.22 114.18 28.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.5 t -114.17 151.72 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.508 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 45.1 m -155.4 124.5 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -75.18 128.41 35.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.592 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -99.05 125.2 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 61.0 m-85 -118.87 165.3 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.45 -48.21 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -51.79 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.58 169.21 41.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -88.79 143.58 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.8 p -75.02 174.04 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -52.94 170.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.23 123.94 49.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.1 m -97.59 127.68 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 p -94.03 157.03 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.18 114.44 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -90.85 136.55 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.477 ' N ' HD21 ' A' ' 16' ' ' LEU . . . -141.64 107.08 0.49 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.52 133.61 55.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -76.58 -178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.85 143.48 32.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 p -88.74 148.51 41.8 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -41.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.3 p -145.94 145.92 30.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -150.7 -156.52 7.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -17.28 37.65 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.35 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -79.41 -10.26 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.7 t -79.1 -46.38 18.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -100.83 143.37 31.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -60.49 161.24 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.33 87.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 p -110.8 83.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -102.06 -45.11 5.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.57 156.33 9.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.4 mtm-85 -72.33 126.03 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.344 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -123.68 123.46 26.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 155.55 65.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 126.7 13.62 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.707 2.271 . . . . 0.0 112.383 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.8 m -115.33 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 63.14 34.56 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 90' ' ' VAL . 12.4 mt -59.4 128.01 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.2 112.19 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 94' ' ' GLY . 9.2 mp -94.92 114.28 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.11 130.83 56.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 21.2 t -102.78 121.61 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' CG ' HG22 ' A' ' 20' ' ' THR . 9.8 pt-20 -117.77 -21.42 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.406 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -150.3 144.48 17.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 2.77 3.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -2.54 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.4 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -160.28 152.17 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 5.9 tp -131.49 128.56 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.38 145.25 30.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.82 133.4 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.9 p -134.56 169.51 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 61' ' ' SER . 35.2 p90 -165.04 174.88 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 m -100.2 115.68 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.542 0.686 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.76 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -164.13 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -101.1 -30.78 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.75 156.16 53.4 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -67.27 114.21 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.8 t -107.37 104.45 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 mt -51.04 -62.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.525 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.0 p80 -146.6 152.29 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 83.5 m-85 -100.44 94.57 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -59.1 106.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 tt -100.28 146.38 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.463 HG23 ' CB ' ' A' ' 53' ' ' SER . 6.7 p -152.66 104.99 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 52' ' ' LYS . 47.1 p90 -94.77 166.27 12.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -169.57 168.8 4.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.076 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.8 Cg_endo -69.74 4.1 2.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' CB ' ' HE2' ' A' ' 73' ' ' LYS . . . 63.23 37.86 10.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -173.62 146.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.3 75.06 1.62 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.7 mt -134.16 -52.39 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.71 176.11 20.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -103.8 153.4 20.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 46.9 mmtt -117.82 -179.19 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.463 ' CB ' HG23 ' A' ' 41' ' ' THR . 93.3 p -168.53 134.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.18 133.58 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.7 t -78.29 134.05 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.45 126.55 24.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 125.1 11.71 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.56 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -40.54 -37.73 1.3 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.82 -46.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -106.92 151.88 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 10.9 t -108.18 16.34 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -152.28 163.02 40.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 p -166.02 158.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -102.47 145.06 30.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 9.1 mt -116.02 94.92 43.13 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.1 Cg_endo -69.82 179.13 3.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.291 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.61 52.04 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 21.7 mt -107.89 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -105.16 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.46 143.89 35.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 43.39 50.01 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.8 m -151.27 104.98 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HE2' ' CB ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -50.75 174.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -153.68 114.14 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.43 102.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.33 105.71 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.95 109.34 22.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.28 138.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 m -134.84 129.34 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -80.12 121.04 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.061 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.525 HG13 ' CE1' ' A' ' 37' ' ' HIS . 14.2 mm -90.74 146.24 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.566 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 67.3 m-85 -139.7 164.42 29.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.57 -50.26 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.63 -53.3 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -163.98 -160.53 11.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.446 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 4.6 ptt180 -122.8 142.87 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -71.16 174.44 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -53.96 -177.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.7 130.7 55.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 14' ' ' LEU . 5.1 m -105.18 125.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 p -90.42 159.44 16.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.67 113.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.5 p -89.61 137.61 32.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.463 ' N ' HD21 ' A' ' 16' ' ' LEU . . . -143.42 103.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -51.58 130.35 27.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -76.3 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -81.41 135.49 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.4 p -85.71 149.88 52.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.611 0.719 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 102.08 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.755 2.304 . . . . 0.0 112.335 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.7 t -96.91 -47.07 5.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.17 160.77 8.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' SER . 53.9 Cg_endo -69.72 2.45 3.5 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.681 2.254 . . . . 0.0 112.385 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' PRO . 16.4 t -38.05 113.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.3 t -99.5 108.11 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -166.16 148.1 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -108.99 42.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.91 177.52 51.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -119.83 83.71 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 m -64.76 -45.55 85.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.39 141.16 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 56.6 mtm-85 -109.39 141.45 41.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -142.76 120.85 7.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 161.79 44.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.84 130.33 19.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -119.78 178.08 4.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 64.54 36.8 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.09 130.4 46.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.01 97.93 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 94' ' ' GLY . 9.9 mp -85.79 115.79 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.75 135.35 54.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -110.8 112.32 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -108.25 -31.93 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.407 HG21 ' CB ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -136.9 147.0 57.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -122.07 1.9 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.407 ' CB ' HG21 ' A' ' 20' ' ' THR . 0.7 OUTLIER -155.61 151.76 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 tp -137.87 115.53 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -68.18 140.95 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 63' ' ' VAL . 2.4 p -147.59 115.13 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -122.78 169.99 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ3' HD12 ' A' ' 40' ' ' LEU . 39.1 p90 -165.23 174.15 10.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -105.34 118.92 54.54 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.5 Cg_endo -69.78 142.5 48.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -93.52 -25.87 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.59 149.64 43.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 110.15 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.548 HG11 ' CE1' ' A' ' 38' ' ' TYR . 62.6 t -101.51 120.07 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -63.36 -67.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.539 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.1 p80 -136.31 151.66 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.548 ' CE1' HG11 ' A' ' 35' ' ' VAL . 32.0 m-85 -99.7 97.86 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -70.23 99.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 HD12 ' CZ3' ' A' ' 28' ' ' TRP . 1.8 tt -96.29 133.52 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.1 p -135.88 104.22 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CZ ' ' CB ' ' A' ' 52' ' ' LYS . 45.4 p90 -96.82 164.81 12.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -162.28 168.97 9.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 54.2 Cg_endo -69.78 3.51 2.73 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.26 . . . . 0.0 112.388 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.58 27.48 16.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -170.9 149.37 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.56 69.02 0.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.63 -52.55 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.96 179.45 16.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.43 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.25 25.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -99.26 139.62 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 22.8 mmtm -107.67 173.53 6.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 p -161.05 115.23 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.35 127.5 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.3 t -76.18 139.72 41.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 98.3 t -134.45 136.78 26.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.388 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -42.32 -30.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.71 -45.12 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -107.72 150.55 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.456 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 35.6 p -115.93 26.72 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.51 ' CD2' ' N ' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -141.02 144.12 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 1.8 p -160.89 168.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.8 m -132.92 144.71 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 42' ' ' TYR . 14.4 mt -103.13 95.92 7.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 179.8 3.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.285 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 t0 50.96 54.95 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.528 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 14.0 mt -110.29 -176.44 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -114.05 -175.08 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.56 150.16 30.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.39 52.39 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.1 m -162.67 105.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -58.38 172.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 27.4 m-85 -147.05 109.12 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -60.89 99.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.8 t -87.65 109.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -102.26 109.35 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.456 ' CG1' ' HG3' ' A' ' 11' ' ' PRO . 17.6 t -106.8 143.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -141.33 132.48 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.18 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.539 HG13 ' CE1' ' A' ' 37' ' ' HIS . 8.8 mm -90.55 134.5 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 90.0 m-85 -128.54 165.88 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.47 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.01 -50.96 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.35 -168.75 32.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.449 ' CB ' HD11 ' A' ' 81' ' ' ILE . 9.6 ptt180 -115.21 138.55 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.6 p -66.63 176.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.0 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.59 121.75 40.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.4 m -95.18 123.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 p -89.74 160.42 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.6 119.07 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.055 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.3 p -96.98 129.05 44.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.473 ' N ' HD21 ' A' ' 16' ' ' LEU . . . -132.13 90.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -40.41 134.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.7 p -79.46 -175.53 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.21 154.49 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 21.0 p -107.89 144.5 29.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.729 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -50.58 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.286 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t 61.02 39.74 16.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.04 -177.07 39.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -37.47 9.11 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.4 m -42.1 -43.96 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.5 t -120.37 151.76 38.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 28.4 t -37.6 154.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -115.85 119.16 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 172.41 32.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -47.26 -47.13 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -128.37 163.24 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.65 -177.06 25.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.454 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 32.8 mtt180 -68.49 116.43 9.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -112.75 119.85 42.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 158.49 56.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.7 140.28 42.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -131.12 177.6 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.33 37.29 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD13 ' CG2' ' A' ' 90' ' ' VAL . 11.7 mt -62.29 126.58 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.03 106.29 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 94' ' ' GLY . 8.3 mp -89.72 114.48 26.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.91 121.34 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.8 t -98.7 116.5 31.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' CG ' HG23 ' A' ' 20' ' ' THR . 5.1 pt-20 -111.68 -26.55 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 HG23 ' CG ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -144.62 144.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.22 -0.45 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -159.34 146.11 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . 13.2 tp -130.01 119.68 23.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -77.94 137.15 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.98 125.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.8 p -127.61 161.89 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CH2' HD13 ' A' ' 40' ' ' LEU . 42.1 p90 -157.34 170.78 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.7 m -93.68 113.41 60.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.2 Cg_endo -69.83 137.97 36.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -175.31 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' C ' HD13 ' A' ' 32' ' ' LEU . 1.3 tm? -95.96 -42.58 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.15 137.72 40.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' NH1' HD21 ' A' ' 36' ' ' LEU . 2.6 tmm_? -55.85 102.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.79 124.3 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD21 ' NH1' ' A' ' 34' ' ' ARG . 23.1 mt -55.21 -65.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -146.76 176.46 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 42.4 m-85 -116.89 101.71 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -71.11 103.17 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD13 ' CH2' ' A' ' 28' ' ' TRP . 1.3 tt -97.48 134.39 40.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.6 p -134.98 89.81 2.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.9 p90 -86.42 143.08 27.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -154.61 154.91 30.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.541 0.686 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' ALA . 53.5 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -34.17 -36.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' PRO . 4.8 t -36.89 -51.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.21 -22.97 24.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -86.82 47.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -171.95 153.9 20.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 166.51 27.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -106.36 149.9 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -111.01 177.42 4.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.5 m -154.21 116.39 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' A' ' 65' ' ' LEU . 34.9 m -119.6 132.33 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -78.98 146.7 33.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 57' ' ' PRO . 84.7 t -134.83 136.85 26.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.488 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 54.3 Cg_endo -69.74 113.37 3.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.58 -42.3 0.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.9 -46.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.488 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 14.1 ptp180 -105.04 155.35 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 24.2 p -113.43 33.21 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 62' ' ' HIS . 2.0 p-80 -161.31 166.66 27.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.6 159.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -107.05 131.0 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' A' ' 42' ' ' TYR . 23.7 mt -101.78 97.53 8.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.76 178.93 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 54.59 52.06 12.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 12.4 mt -110.48 160.4 16.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -93.74 178.56 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . . . -106.91 149.51 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 50.59 43.63 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 61.0 m -152.37 106.95 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.434 ' CA ' ' HA ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -60.51 174.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.504 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 37.5 m-85 -148.36 113.71 5.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ALA . 7.0 ttm180 -61.45 95.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.8 t -82.86 116.78 27.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.89 107.62 16.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' A' ' 11' ' ' PRO . 43.4 t -105.38 146.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 132.79 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.475 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -85.54 119.99 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.598 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.45 121.73 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.475 ' CE2' ' HB2' ' A' ' 80' ' ' ALA . 80.6 m-85 -113.08 168.72 9.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.11 -49.47 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.44 -178.07 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -106.25 137.46 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.4 p -72.06 172.71 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -53.66 175.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.83 126.07 54.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.421 ' CG2' HD13 ' A' ' 14' ' ' LEU . 12.7 m -98.97 128.3 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.0 p -88.65 158.48 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.69 110.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -91.56 133.52 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.466 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -145.03 103.28 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -52.99 142.4 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.447 ' O ' ' CD ' ' A' ' 95' ' ' GLN . 7.7 p -88.59 174.68 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -80.87 174.27 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.085 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.5 p -103.94 152.58 39.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 70' ' ' ALA . 54.0 Cg_endo -69.76 -32.42 18.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 t 67.55 44.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 54.57 -119.22 11.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -41.88 3.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.407 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -65.27 161.26 19.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.4 m -132.0 171.05 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -81.31 83.82 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -69.05 154.19 42.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.42 167.17 42.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -105.52 175.33 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -65.09 124.29 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.43 -47.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.569 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 49.4 mtm180 -72.8 132.52 43.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -132.01 120.41 17.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.71 59.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.69 18.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -118.15 178.09 4.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 62.46 39.54 11.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -64.01 127.87 33.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.0 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.08 117.24 29.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.92 117.32 31.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -98.75 105.28 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -97.23 -21.59 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.82 147.48 27.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.95 3.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.0 -2.71 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.39 153.75 33.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' N ' HD11 ' A' ' 68' ' ' LEU . 7.9 tp -137.99 110.84 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.65 149.98 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -151.97 131.38 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -128.58 170.45 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -168.03 167.74 12.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.6 m -96.0 110.92 54.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 54.4 Cg_endo -69.67 142.24 47.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.48 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tt -104.68 -36.82 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.33 150.99 14.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -64.71 99.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.38 119.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.8 mt -56.07 -65.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.54 ' CE1' HG13 ' A' ' 81' ' ' ILE . 8.2 p80 -145.58 176.8 9.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.93 97.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -64.53 99.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tt -90.54 142.34 27.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 p -144.9 105.01 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.515 ' CD2' HD22 ' A' ' 65' ' ' LEU . 41.0 p90 -101.69 155.74 17.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -154.07 169.04 10.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 111.044 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.6 Cg_endo -69.8 3.21 2.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . . . 58.12 32.37 21.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.1 p -157.05 144.12 18.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.2 67.2 2.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 mt -132.59 -49.91 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.92 171.58 14.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 163.38 38.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -99.11 134.21 42.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.497 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 40.2 mmtt -86.46 -177.86 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.14 122.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG21 ' CD2' ' A' ' 65' ' ' LEU . 35.7 m -128.3 135.05 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -79.75 148.89 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.95 137.37 30.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.65 0.738 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.481 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.8 Cg_endo -69.79 110.95 2.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' ALA . . . -35.53 -44.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -34.01 -46.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 4.5 ptp180 -104.3 161.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.401 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 88.9 p -117.49 30.39 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -161.22 166.72 27.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 p -171.03 152.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -101.98 140.28 36.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 42' ' ' TYR . 14.9 mt -108.21 95.39 15.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.72 178.63 4.35 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.375 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.0 54.31 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.514 HD23 ' CZ ' ' A' ' 74' ' ' TYR . 24.0 mt -113.61 169.5 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -98.24 -175.09 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.34 155.79 21.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 42.57 32.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -136.98 106.29 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -57.48 173.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.514 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 27.5 m-85 -149.04 109.77 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 45' ' ' ALA . 3.5 ttm105 -57.73 104.68 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.38 111.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -108.27 110.8 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 79' ' ' SER . 12.5 t -107.66 151.47 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -150.71 134.42 16.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.494 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -84.78 117.06 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.54 HG13 ' CE1' ' A' ' 37' ' ' HIS . 15.1 mm -86.56 135.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 73.1 m-85 -130.27 162.47 28.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.49 -52.27 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.24 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.16 -174.2 35.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 7.1 ptt-85 -107.75 141.91 38.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -69.36 178.33 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.37 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.0 123.32 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.9 m -100.76 117.11 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -87.67 166.37 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.2 116.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -92.05 125.53 36.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.75 92.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -47.34 120.9 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 p -60.73 -176.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.05 149.95 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 23.9 p -93.76 143.61 26.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 94.14 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.273 . . . . 0.0 112.308 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 87.1 p -102.15 164.36 11.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.05 151.25 9.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 160.08 51.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.8 t -74.79 103.47 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.5 t -71.9 -57.49 4.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -77.93 -61.36 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.376 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -78.44 -58.85 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.42 -121.9 1.47 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -82.8 -47.86 11.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -108.56 177.49 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.8 -99.86 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.547 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 71.3 mtm180 -124.52 131.64 53.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -118.09 121.9 30.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.696 0.76 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 157.3 60.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 127.79 15.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -113.29 177.83 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 62.25 46.46 6.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.43 131.04 45.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.65 112.1 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 94' ' ' GLY . 8.8 mp -93.88 105.08 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.79 124.39 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.461 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 2.4 p -100.77 123.78 45.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.418 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 5.2 mt-10 -102.68 -18.58 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.56 148.8 32.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.521 0.677 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -121.0 -0.46 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -157.33 149.32 22.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 6.9 tp -125.17 124.82 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.4 tt0 -84.53 142.44 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 27' ' ' SER . 6.8 p -143.48 137.81 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.457 ' N ' HG21 ' A' ' 26' ' ' VAL . 53.3 p -135.8 174.65 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -170.2 168.03 8.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.2 m -92.89 106.73 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.34 42.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -165.23 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -104.74 -27.07 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.89 150.23 46.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.19 106.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG13 ' CE1' ' A' ' 38' ' ' TYR . 89.9 t -105.16 117.22 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.85 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.51 ' CE1' HG12 ' A' ' 81' ' ' ILE . 3.1 p80 -140.67 176.76 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CE1' HG13 ' A' ' 35' ' ' VAL . 28.8 m-85 -123.07 92.29 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -61.19 110.24 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.2 tt -104.33 138.86 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.416 HG21 ' CB ' ' A' ' 53' ' ' SER . 2.1 p -140.95 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.518 ' CD1' HD23 ' A' ' 65' ' ' LEU . 54.9 p90 -102.6 161.55 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.23 164.07 3.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 99.89 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.4 -33.95 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' GLY . 43.5 m -88.65 38.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' SER . . . 34.15 76.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 mt -124.45 36.9 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 132.73 -171.25 21.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -176.87 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 144.52 45.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 20.8 mmtp -106.73 177.31 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.416 ' CB ' HG21 ' A' ' 41' ' ' THR . 6.5 m -154.73 123.98 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.67 135.0 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -81.3 142.35 33.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 92.7 t -128.99 138.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.7 Cg_endo -69.78 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.545 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -35.93 -43.16 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.26 -43.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 4.5 ptp180 -107.08 142.91 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.7 p -102.67 33.08 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -163.69 155.51 17.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 40' ' ' LEU . 7.5 p -160.56 154.48 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -104.66 135.3 46.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 ' CD1' ' A' ' 42' ' ' TYR . 13.2 mt -105.27 95.29 9.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 179.36 3.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 t0 58.28 54.82 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.521 HD23 ' CZ ' ' A' ' 74' ' ' TYR . 21.0 mt -120.78 168.8 11.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -102.74 174.97 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.37 152.49 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 54.78 37.09 27.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.445 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 58.8 m -148.94 105.46 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.434 ' CA ' ' HA ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -62.16 174.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.521 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 64.6 m-85 -151.36 119.26 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -64.68 100.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -92.05 107.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mp -103.26 117.54 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.1 t -115.3 146.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -142.06 132.32 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.435 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -80.77 127.6 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.577 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -95.86 144.24 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.547 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 89.6 m-85 -138.67 170.38 16.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -44.76 80.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.31 30.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.99 169.86 39.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -89.43 145.95 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 p -77.57 177.01 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.57 -179.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.01 129.33 55.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.01 121.27 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -90.61 165.21 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.76 129.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.412 ' C ' HD22 ' A' ' 16' ' ' LEU . 30.7 p -98.26 140.47 32.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.471 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -150.1 100.42 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 42.7 tt0 -52.65 130.58 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.7 p -64.37 -177.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 122.2 27.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.4 t -85.42 136.85 37.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.57 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.2 p -155.68 135.99 13.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -97.6 150.3 19.45 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 91.28 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -139.05 124.21 19.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 m -100.34 105.22 16.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -113.48 107.49 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -146.04 150.05 35.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.16 -166.3 36.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -74.75 143.71 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -130.37 101.9 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.68 28.08 9.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.563 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 72.4 mtm180 -150.78 140.66 21.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -143.88 119.39 6.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 156.57 62.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.16 12.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -115.34 177.43 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 62.34 34.76 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.62 125.98 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.71 110.88 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD2' ' HA3' ' A' ' 94' ' ' GLY . 8.8 mp -95.5 117.59 30.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.75 129.56 56.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -109.39 104.2 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.65 -19.76 18.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -158.82 146.17 13.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 0.0 111.151 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 6.1 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.06 -24.58 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.464 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 51.0 p -144.93 150.85 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 68' ' ' LEU . 11.3 tp -126.56 118.63 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.39 140.12 36.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 p -146.35 127.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -126.95 179.69 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -172.12 172.7 4.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.6 m -98.85 111.74 61.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 138.12 37.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -164.12 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.7 tp -93.58 -49.03 6.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.43 156.47 5.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.559 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -72.08 122.28 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.346 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 ' CE1' ' A' ' 82' ' ' TYR . 77.8 t -108.18 97.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.15 -58.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.504 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.7 p80 -151.89 159.82 43.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 47.1 m-85 -104.86 97.82 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -65.17 100.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.52 143.26 27.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 p -145.9 110.44 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' CD1' HD22 ' A' ' 65' ' ' LEU . 25.6 p90 -111.8 148.0 34.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -174.79 165.85 2.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 109.37 2.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.0 -40.73 58.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.29 -34.94 11.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.64 63.42 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.22 10.12 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.4 -177.83 28.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 178.99 3.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -114.17 123.67 50.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -92.2 173.7 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.1 p -167.04 124.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.4 m -122.76 130.61 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.077 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -78.77 147.91 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 57' ' ' PRO . 84.5 t -141.05 134.84 14.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' N ' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.75 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.55 -35.86 0.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.17 -40.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -106.86 151.83 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -114.85 23.39 12.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -152.7 153.92 34.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -162.01 158.52 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 23' ' ' SER . 19.1 m -115.39 137.98 51.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.557 HD22 ' CD1' ' A' ' 42' ' ' TYR . 18.4 mt -104.91 95.39 8.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.46 2.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 54.62 55.01 8.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 74' ' ' TYR . 34.2 mt -116.58 166.46 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -98.16 -174.78 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.58 148.73 37.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 57.24 53.92 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.8 m -156.37 145.04 20.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -88.96 172.9 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 51.4 m-85 -157.21 112.18 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -69.55 93.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.3 t -81.35 100.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 mp -97.1 106.95 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.9 t -107.07 139.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -136.46 141.06 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -87.78 122.63 31.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.504 HG13 ' CE1' ' A' ' 37' ' ' HIS . 11.5 mm -93.63 135.98 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.566 ' CE1' HG22 ' A' ' 35' ' ' VAL . 72.8 m-85 -130.82 161.29 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.79 -46.13 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.13 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.31 -169.11 30.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 7.7 ptt180 -115.46 136.95 52.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.8 p -66.79 177.17 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.72 -178.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.62 131.63 55.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -102.99 124.85 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 p -87.36 155.58 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.16 118.38 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.9 p -95.18 118.49 32.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.47 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -126.42 96.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -54.83 132.72 46.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 p -68.53 177.03 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.53 130.19 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.88 134.79 49.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -177.32 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.5 p -95.51 -51.0 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.95 -154.99 17.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -34.11 15.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.361 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.0 p -80.11 138.72 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 m -119.09 81.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -111.8 131.79 55.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -169.74 167.25 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.21 -143.97 6.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -149.93 160.31 43.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -61.0 168.06 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.82 -94.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 31.3 mtm180 -74.17 141.67 45.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -126.75 118.84 22.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.77 59.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -112.8 177.85 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 62.69 36.38 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 90' ' ' VAL . 11.6 mt -59.65 122.53 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.55 104.81 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CD2' ' HA3' ' A' ' 94' ' ' GLY . 8.8 mp -87.03 113.69 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.88 122.77 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.436 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 26.7 t -99.04 115.22 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -103.09 -35.48 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.66 145.98 59.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.83 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.359 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.01 -5.54 9.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -150.14 148.54 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 11.9 tp -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -81.55 138.55 35.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 p -139.59 128.49 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 p -126.52 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -166.96 168.8 13.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 m -96.22 110.65 53.36 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.552 0.691 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 137.71 35.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -173.75 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.5 -43.09 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.71 133.27 52.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 123.65 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -114.74 110.09 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -46.04 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.566 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.2 p80 -142.79 170.42 15.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -118.75 104.02 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -70.78 105.5 3.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -97.58 135.74 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.47 HG23 ' CB ' ' A' ' 53' ' ' SER . 7.6 p -140.35 105.6 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.416 ' CD1' HD22 ' A' ' 65' ' ' LEU . 52.0 p90 -101.2 146.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.02 163.02 26.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.49 4.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.2 39.05 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -117.95 -40.29 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.1 -38.8 2.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.7 -41.34 99.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.16 154.73 23.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 147.72 64.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.53 138.96 40.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -88.17 175.35 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.47 ' CB ' HG23 ' A' ' 41' ' ' THR . 77.7 p -155.54 111.63 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG21 ' CD2' ' A' ' 65' ' ' LEU . 35.7 m -106.86 138.7 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -83.47 147.18 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 78.2 t -132.94 136.96 28.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.482 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 54.1 Cg_endo -69.75 111.59 2.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.88 -39.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -38.09 -45.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.482 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.3 ptp180 -105.44 158.44 16.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -115.89 36.13 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -164.49 163.48 22.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.453 ' CG1' HD13 ' A' ' 40' ' ' LEU . 6.0 p -169.13 147.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -97.7 134.14 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD2' HG21 ' A' ' 54' ' ' VAL . 9.6 mt -103.9 95.47 7.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.08 11.46 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 64.47 52.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.669 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 30.9 mt -120.79 174.66 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -89.45 -174.51 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 97' ' ' ALA . . . -103.27 -33.01 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -134.56 69.74 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 73' ' ' LYS . 76.2 m -152.17 140.62 20.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 72' ' ' THR . 2.0 mppt? -84.74 145.67 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.669 ' CE2' ' CD2' ' A' ' 68' ' ' LEU . 22.0 m-85 -135.77 112.82 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -67.76 97.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.408 ' CG2' HD22 ' A' ' 16' ' ' LEU . 93.4 t -81.99 107.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mp -101.94 111.51 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.2 t -111.94 142.89 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 49.5 m -146.87 125.61 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.38 129.85 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 37' ' ' HIS . 1.1 mp -99.4 131.59 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 80.2 m-85 -123.82 169.12 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.58 -45.28 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 -52.48 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.49 40.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -87.7 143.11 27.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 99.5 p -77.14 173.35 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -48.79 177.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.02 129.91 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 14' ' ' LEU . 3.2 m -100.57 126.8 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 p -95.61 152.84 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.05 120.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.4 p -87.92 134.68 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.471 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -145.4 91.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -49.6 151.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 p -86.36 173.08 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 70' ' ' ALA . . . -77.79 128.27 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.3 161.37 13.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.23 3.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.6 t -64.58 -61.18 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 67.48 -155.56 52.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 101.83 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 t -89.82 122.54 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.0 t -59.71 128.66 38.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -128.68 110.07 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -94.96 107.31 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.06 102.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -55.12 124.07 15.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -130.39 89.65 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.52 -53.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.564 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 62.3 mtm180 -114.81 117.74 31.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -119.38 121.26 30.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 159.39 53.6 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 126.01 12.79 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -116.41 178.05 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 62.49 41.34 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 90' ' ' VAL . 12.9 mt -63.44 131.24 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.63 105.86 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 HD21 ' N ' ' A' ' 94' ' ' GLY . 8.4 mp -91.27 117.18 29.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.54 132.92 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -109.14 113.49 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -107.16 -30.18 8.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.95 145.1 37.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.91 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.8 -4.31 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -159.34 147.91 17.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . 5.9 tp -126.94 127.8 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -81.13 142.63 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -148.02 129.18 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -131.38 177.9 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CD1' ' OG ' ' A' ' 61' ' ' SER . 36.5 p90 -172.69 174.22 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -102.66 121.43 49.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.568 0.699 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.59 40.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 173.75 10.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -48.41 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.8 128.22 10.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.24 155.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -130.86 106.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -38.18 -55.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.562 ' CE1' HG12 ' A' ' 81' ' ' ILE . 6.5 p80 -157.52 156.8 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.528 ' CE1' HG11 ' A' ' 35' ' ' VAL . 24.7 m-85 -105.08 105.18 15.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CE2' ' OG ' ' A' ' 53' ' ' SER . 18.2 t-105 -81.14 104.08 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 HD21 ' CG1' ' A' ' 76' ' ' VAL . 1.2 tt -97.66 136.06 38.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -129.61 85.52 2.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -87.65 150.36 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -174.12 162.94 2.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' SER . 53.6 Cg_endo -69.8 103.56 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -37.49 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' PRO . 83.3 p -39.07 -40.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.5 -38.4 3.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.45 -36.72 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.92 163.02 54.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.434 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -175.66 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -120.3 134.98 55.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -119.43 168.77 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' A' ' 39' ' ' TRP . 8.6 t -152.23 147.72 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.5 m -142.86 126.11 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.86 146.98 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 98.4 t -137.69 139.17 26.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.8 Cg_endo -69.78 107.98 1.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.515 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.01 -37.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -39.29 -50.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.48 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.1 ptp180 -99.26 157.59 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.519 ' OG ' ' CD1' ' A' ' 28' ' ' TRP . 2.2 t -117.72 27.46 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -150.03 148.17 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.09 163.89 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -120.52 136.38 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 9.1 mt -106.44 95.3 11.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.68 177.49 5.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.377 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.1 t0 57.49 53.9 7.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' A' ' 74' ' ' TYR . 20.8 mt -108.99 171.57 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -102.94 -177.48 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.87 131.57 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.09 44.98 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.8 m -153.94 105.75 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -56.95 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CE1' HD22 ' A' ' 68' ' ' LEU . 32.7 m-85 -151.16 108.55 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' ALA . 10.7 ttm-85 -58.02 93.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.417 ' CG1' HD21 ' A' ' 40' ' ' LEU . 42.2 t -82.72 106.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.09 107.84 19.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.47 151.63 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 23.1 m -150.1 126.73 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.31 125.87 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.58 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -98.07 136.68 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 72.1 m-85 -130.77 169.68 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.24 -43.64 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.94 -40.79 45.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.56 177.93 44.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -99.81 148.12 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -81.27 174.79 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -53.23 168.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.86 135.89 44.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 14' ' ' LEU . 3.6 m -106.47 117.2 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 p -87.67 155.27 20.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.73 124.62 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.1 p -96.12 125.38 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.456 ' N ' HD21 ' A' ' 16' ' ' LEU . . . -132.05 90.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.544 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -47.84 127.72 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.391 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.7 p -71.22 -178.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.7 160.93 19.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.1 p -113.05 147.89 38.25 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.61 0.719 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -22.66 31.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.3 t -52.13 155.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.34 -157.8 31.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 105' ' ' GLY . 53.3 Cg_endo -69.8 167.43 24.53 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 p -39.44 -43.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.6 m -71.27 -39.68 71.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p -63.71 -44.35 93.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -69.73 170.11 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.05 56.61 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 p -112.85 -44.65 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -108.96 172.6 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 -41.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 5.4 mtp-105 -73.47 124.55 26.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.346 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -139.38 112.43 7.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.83 68.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.64 9.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -106.94 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 62.4 35.97 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.86 131.8 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.64 109.93 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 94' ' ' GLY . 9.7 mp -90.3 119.35 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.14 123.9 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -100.79 113.28 26.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.79 -30.76 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.83 147.45 35.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.15 -9.68 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 m -154.34 153.58 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' N ' HD11 ' A' ' 68' ' ' LEU . 5.7 tp -133.46 121.53 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' NE2' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -76.23 144.74 40.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 p -148.02 121.5 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -121.7 170.94 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CE2' ' O ' ' A' ' 61' ' ' SER . 26.2 p90 -172.66 168.33 5.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.1 m -96.53 114.65 64.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 141.95 46.31 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -173.94 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -95.19 -42.77 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.83 149.17 5.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 96.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 38' ' ' TYR . 3.9 p -97.46 112.74 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.89 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.463 ' CE1' HG13 ' A' ' 81' ' ' ILE . 5.0 p80 -136.37 174.68 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CE1' HG22 ' A' ' 35' ' ' VAL . 44.9 m-85 -116.32 93.41 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.01 107.76 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 41' ' ' THR . 0.5 OUTLIER -95.91 156.13 16.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 40' ' ' LEU . 17.9 p -164.89 104.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.529 ' CD1' HD22 ' A' ' 65' ' ' LEU . 20.3 p90 -100.48 166.12 11.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -160.14 169.43 10.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.689 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 54.0 Cg_endo -69.74 4.19 2.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.3 29.18 17.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -105.85 -46.38 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.78 -37.74 3.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.58 -33.47 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.74 170.1 53.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 171.51 14.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -139.51 127.39 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 17.0 mmtp -78.57 -175.77 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.439 ' CB ' HG23 ' A' ' 41' ' ' THR . 83.3 p -161.25 141.79 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.482 ' CG2' HD23 ' A' ' 40' ' ' LEU . 17.4 m -139.89 142.1 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -88.11 144.22 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.01 131.5 19.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.9 18.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.461 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -46.9 -32.72 6.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.93 -45.42 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.9 148.36 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.453 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 88.6 p -107.55 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.62 170.04 16.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 p -166.03 157.19 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.414 ' OG1' ' NE2' ' A' ' 25' ' ' GLN . 10.7 m -114.85 133.77 55.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.529 HD22 ' CD1' ' A' ' 42' ' ' TYR . 36.5 mt -102.98 96.57 8.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.71 -175.68 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.385 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 46.68 53.42 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 74' ' ' TYR . 12.6 mt -108.08 165.17 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -95.54 -175.19 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.08 152.93 28.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.44 46.71 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -153.69 105.75 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -57.74 163.7 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.517 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 35.6 m-85 -140.12 110.3 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -61.13 98.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.8 t -86.05 117.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mp -110.26 112.96 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.8 t -114.12 140.98 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -139.09 135.15 33.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -81.93 119.81 24.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 37' ' ' HIS . 16.2 mm -87.71 147.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 8' ' ' ARG . 65.9 m-85 -145.28 160.77 41.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.43 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.62 17.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.99 -160.0 11.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 6.4 ptt180 -125.64 131.18 52.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.346 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.4 p -58.29 167.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -52.26 176.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.83 130.74 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.7 m -102.33 124.91 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 p -90.82 153.82 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.01 121.67 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -98.74 129.18 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.414 ' N ' HD21 ' A' ' 16' ' ' LEU . . . -134.81 94.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -47.39 120.8 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -64.0 -179.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.22 131.79 34.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.9 m -45.72 160.22 0.28 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.646 0.736 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 151.5 68.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.1 m -64.15 136.46 57.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.6 -178.74 28.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 158.16 57.92 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.7 p -63.86 -21.3 66.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.3 p -81.86 104.97 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -100.81 145.66 28.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.6 p -132.76 155.72 48.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.5 -151.13 23.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 m -120.81 40.87 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 p -60.27 -55.13 37.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.4 -54.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.549 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.6 mtm105 -59.92 118.3 6.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 t -117.4 123.59 29.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.708 0.766 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 127.14 14.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.383 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -113.28 177.54 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 57.7 45.7 18.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.52 128.08 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.79 105.82 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 94' ' ' GLY . 9.9 mp -92.35 103.9 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.93 129.41 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.419 ' CB ' HD11 ' A' ' 24' ' ' LEU . 3.2 p -108.61 126.99 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.51 -22.64 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -142.08 148.0 46.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 111.187 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -2.96 11.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.13 -2.07 17.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -152.33 171.42 18.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 6.6 tp -145.7 127.84 15.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' ALA . 1.9 tt0 -93.24 137.09 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -143.96 141.22 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -139.64 -179.6 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.6 p90 -170.54 171.27 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.8 m -93.51 115.17 64.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.6 19.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.46 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -100.3 -41.74 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.83 152.51 2.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 89.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.407 ' HB ' ' CE1' ' A' ' 82' ' ' TYR . 4.8 p -89.3 116.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.76 -68.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.561 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.3 p80 -137.87 174.98 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.401 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 66.4 m-85 -118.36 97.46 5.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -67.22 113.99 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CD1' HG11 ' A' ' 63' ' ' VAL . 1.1 tt -106.18 136.45 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 p -134.78 93.12 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -91.81 144.25 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.61 159.08 17.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 98.82 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -36.91 -48.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.1 m -39.67 -49.68 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.69 49.72 2.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.16 12.38 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -153.4 177.48 30.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 176.21 7.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.734 2.289 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -102.02 169.62 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -144.76 173.45 11.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 p -164.02 141.34 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.5 131.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -71.83 150.53 44.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.5 t -142.13 130.29 11.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 54.1 Cg_endo -69.73 119.88 6.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.401 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.45 -35.25 2.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.85 -42.43 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.069 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.477 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 8.6 ptp180 -108.16 144.26 35.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -102.47 25.32 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -151.0 162.68 40.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.409 HG11 ' CD1' ' A' ' 40' ' ' LEU . 7.8 p -163.12 155.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 m -109.38 141.81 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.5 93.28 22.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 171.65 14.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.97 55.02 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.659 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 30.8 mt -120.7 157.87 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.93 -177.68 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.84 146.24 38.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.75 43.29 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 73' ' ' LYS . 33.9 m -140.38 143.92 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.605 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -84.41 166.06 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.659 ' CE2' ' CD2' ' A' ' 68' ' ' LEU . 33.4 m-85 -155.16 105.35 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.67 90.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.09 107.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -102.54 106.18 16.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.85 139.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.7 m -142.11 130.15 21.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.79 126.05 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -97.0 130.51 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 87.4 m-85 -123.53 165.11 17.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.6 -50.72 31.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.14 43.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.36 167.98 39.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -88.11 144.85 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.42 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 85.6 p -77.79 175.02 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -50.44 173.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.94 133.08 55.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.5 m -106.79 123.48 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.4 p -90.8 156.72 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.53 123.58 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 p -89.91 120.72 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.464 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -124.05 91.53 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -56.94 123.42 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.452 HG23 ' CE1' ' A' ' 74' ' ' TYR . 35.1 p -61.46 178.27 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.17 135.6 39.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.1 m -76.87 152.87 82.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -41.43 4.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 t -142.36 138.44 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.62 139.31 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -6.5 18.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -133.04 122.72 24.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.2 t -57.94 107.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -72.37 -55.61 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -100.9 124.94 47.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.0 145.56 16.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.456 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m 52.89 42.21 32.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -93.24 87.29 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.15 69.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -133.01 107.35 8.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -122.39 122.46 27.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.81 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 158.12 58.03 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 126.71 13.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -117.01 177.38 4.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 61.84 35.19 16.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mt -56.41 128.77 37.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.89 106.07 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 94' ' ' GLY . 10.5 mp -93.01 116.68 29.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.72 132.13 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -110.3 114.6 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.23 -32.11 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 22' ' ' ASP . 1.7 t -142.42 145.34 34.46 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 9.23 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -111.19 -19.09 12.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -150.21 159.54 44.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' N ' HD11 ' A' ' 68' ' ' LEU . 9.3 tp -135.19 119.66 18.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -79.09 143.87 35.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 16' ' ' LEU . 4.7 p -148.73 127.79 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.27 175.2 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -166.28 172.62 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.4 m -96.0 115.4 65.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 0.0 111.196 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.07 22.53 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -101.05 -39.26 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.89 167.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -84.48 96.95 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.12 121.82 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.82 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.556 ' CE1' HG13 ' A' ' 81' ' ' ILE . 5.4 p80 -138.67 166.22 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.453 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 31.3 m-85 -112.21 90.94 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -61.49 99.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 1.4 tt -99.41 133.11 44.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 p -133.67 113.5 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.594 ' CZ ' ' CB ' ' A' ' 52' ' ' LYS . 23.3 p90 -106.15 141.23 37.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -148.65 159.32 38.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.05 3.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.79 38.54 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 m -115.34 -44.79 2.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.27 -36.92 3.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.7 -41.84 59.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.65 168.76 51.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 133.65 26.08 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -93.56 127.26 39.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 57.8 mmtt -90.94 169.74 10.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 m -164.21 124.88 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -108.12 157.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.9 p -100.21 150.2 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.405 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.3 t -136.77 134.66 19.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.405 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 54.2 Cg_endo -69.69 0.1 6.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . 74.67 -47.97 1.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -93.73 145.82 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.9 p -103.73 27.67 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -155.56 172.29 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 40' ' ' LEU . 9.5 p -173.99 154.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 m -114.84 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.2 mt -103.51 94.87 6.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 174.26 9.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.297 . . . . 0.0 112.275 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 57.39 54.99 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 13.3 mt -113.06 169.63 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -108.38 -175.19 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . . . -114.87 148.06 39.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.58 48.57 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -151.96 142.78 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.3 mppt? -85.68 166.61 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.629 ' CE2' ' CD2' ' A' ' 68' ' ' LEU . 32.4 m-85 -151.14 111.03 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' CD ' HD13 ' A' ' 77' ' ' LEU . 8.8 ttm180 -71.74 94.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.2 t -78.38 108.81 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.41 HD13 ' CD ' ' A' ' 75' ' ' ARG . 2.2 mp -106.89 105.84 16.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.51 143.61 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -143.28 125.3 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.66 120.62 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.556 HG13 ' CE1' ' A' ' 37' ' ' HIS . 7.1 mm -89.14 145.42 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -139.61 158.85 43.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.26 -51.67 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.57 -52.27 22.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.47 -169.33 32.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.458 ' CB ' HD11 ' A' ' 81' ' ' ILE . 5.3 ptt-85 -115.82 134.89 54.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -63.92 175.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -52.58 -176.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 125.78 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.2 m -95.62 124.46 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 p -90.17 154.81 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.6 136.0 11.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.5 p -106.51 114.78 29.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.478 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -127.36 90.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.67 142.64 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.522 HG21 ' CE1' ' A' ' 74' ' ' TYR . 2.3 p -85.47 169.51 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.48 164.37 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.4 t -121.85 137.13 26.83 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.82 105.12 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.5 p -44.3 160.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -121.26 -157.6 10.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 146.48 60.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.234 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.5 t -43.57 -49.88 7.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -106.87 153.32 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.434 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -112.34 155.74 23.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.892 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -49.32 143.0 6.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.16 171.82 25.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 58.1 m -155.55 115.98 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.1 m -37.82 -47.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.53 42.91 0.28 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 24.6 mtm105 -125.06 115.56 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -120.33 128.95 25.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 155.35 66.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 53.4 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m -111.86 177.79 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 63.37 37.66 10.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.1 129.79 43.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 109.28 8.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 94' ' ' GLY . 9.0 mp -98.91 117.24 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.37 138.74 50.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -115.33 109.4 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' CG ' HG21 ' A' ' 20' ' ' THR . 8.4 pt-20 -111.85 -13.87 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.452 HG21 ' CG ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -148.98 137.04 11.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 111.164 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.73 2.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.63 -0.9 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' THR . 3.1 m -162.37 154.88 19.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' N ' HD11 ' A' ' 68' ' ' LEU . 10.1 tp -132.13 130.17 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -84.56 134.74 34.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.9 p -140.81 128.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -132.95 -179.29 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.4 p90 -172.58 172.41 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -94.47 113.95 62.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.29 32.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -168.66 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.55 -31.12 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.09 144.99 43.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -64.0 109.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.53 120.34 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.2 mt -50.75 -65.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.571 ' CE1' HG12 ' A' ' 81' ' ' ILE . 19.6 p80 -145.44 -178.8 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 74.7 m-85 -120.56 91.67 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -60.29 101.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' CD1' HG11 ' A' ' 63' ' ' VAL . 1.2 tt -94.19 140.1 30.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.428 HG22 ' CB ' ' A' ' 53' ' ' SER . 26.3 p -143.01 105.83 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -103.26 149.64 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.83 162.77 26.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 3.02 3.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 57.91 39.41 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -118.81 -61.47 1.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.25 36.33 2.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.11 -58.78 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.906 0.384 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.0 -175.68 49.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 153.26 69.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -93.47 130.54 39.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -87.4 163.45 16.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.428 ' CB ' HG22 ' A' ' 41' ' ' THR . 6.4 m -160.94 116.35 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.62 133.29 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.9 t -80.1 143.29 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.418 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 89.8 t -132.45 137.2 29.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.487 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 53.6 Cg_endo -69.83 111.01 2.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.15 -35.7 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.69 -45.26 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.487 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.4 ptp180 -105.05 150.01 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -110.3 30.78 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -154.75 153.28 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 40' ' ' LEU . 7.9 p -159.99 170.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -127.89 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 5.1 mt -109.47 95.78 20.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.81 179.85 3.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.8 54.43 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 74' ' ' TYR . 38.4 mt -113.89 163.49 15.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 179.81 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.4 146.69 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 58.63 46.88 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 73' ' ' LYS . 35.7 m -147.6 143.32 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.563 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 3.6 mppt? -86.54 172.92 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 67.1 m-85 -158.57 116.21 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.463 ' NE ' HD11 ' A' ' 77' ' ' LEU . 8.2 ttt180 -72.4 92.3 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.2 t -79.41 92.69 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.463 HD11 ' NE ' ' A' ' 75' ' ' ARG . 3.6 mp -89.51 113.0 24.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 79' ' ' SER . 39.3 t -106.34 151.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.462 ' N ' HG11 ' A' ' 78' ' ' VAL . 1.7 p -151.17 130.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.513 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -86.21 121.79 29.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.586 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.53 119.12 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 70.0 m-85 -111.87 167.28 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.42 -44.19 62.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.36 -48.39 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.77 178.14 47.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -98.56 138.82 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -73.78 177.24 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.48 -177.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.37 128.93 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 m -102.28 124.7 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.2 p -85.07 162.32 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.434 ' HB1' ' CD1' ' A' ' 16' ' ' LEU . . . -166.2 117.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.5 p -93.35 116.43 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.469 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -124.64 95.1 0.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.69 128.53 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.8 p -72.22 176.8 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.03 141.62 37.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.73 161.08 64.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.88 27.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.373 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.6 p -99.08 157.26 16.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.44 -172.81 13.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 103' ' ' SER . 53.5 Cg_endo -69.83 3.12 2.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.313 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 102' ' ' PRO . 26.6 t -34.23 -44.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.8 t -92.26 -60.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.532 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -86.13 121.56 28.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -134.93 120.92 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.56 111.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -84.97 88.25 7.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -128.97 137.89 51.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.24 -59.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.585 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.0 ptt85 -99.78 108.63 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.8 123.95 39.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.24 53.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -131.96 177.21 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 61.19 44.37 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.6 130.32 43.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.76 105.33 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 94' ' ' GLY . 8.5 mp -94.61 112.16 23.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.92 127.43 55.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.0 t -103.81 110.23 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' CG ' HG23 ' A' ' 20' ' ' THR . 13.2 pt-20 -105.39 -23.89 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.422 HG23 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -145.98 146.44 28.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.571 0.701 . . . . 0.0 111.142 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.16 3.78 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.24 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -119.76 -6.1 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.42 ' CB ' HG22 ' A' ' 20' ' ' THR . 0.7 OUTLIER -148.1 145.67 28.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 12.3 tp -131.99 116.47 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.92 140.17 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 p -150.0 121.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -124.64 176.64 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -166.82 177.96 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 83.0 m -100.08 117.38 63.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.528 0.68 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 136.06 31.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.55 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.1 tp -93.47 -34.55 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.52 130.64 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -48.57 131.4 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG11 ' CZ ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -123.76 125.68 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.31 -62.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.426 ' CE1' HG12 ' A' ' 81' ' ' ILE . 7.9 p80 -150.87 -179.93 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.465 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 39.8 m-85 -121.8 93.87 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.85 97.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.11 135.3 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.7 p -134.43 102.74 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.448 ' CG ' HD11 ' A' ' 65' ' ' LEU . 29.0 p90 -104.74 142.47 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -163.58 165.86 13.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' ALA . 54.0 Cg_endo -69.75 103.15 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.0 154.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 m 63.47 37.16 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.41 -110.86 1.52 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt 40.77 33.72 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 0.0 110.953 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 171.86 167.52 32.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 178.07 4.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.295 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -124.49 109.31 13.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -88.88 179.61 6.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.1 p -167.55 122.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.79 144.75 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -87.45 150.84 23.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -146.16 135.05 11.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' GLY . 53.7 Cg_endo -69.74 111.95 2.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -36.84 -36.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.15 -46.45 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -97.27 157.1 16.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -118.56 24.56 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -153.47 151.03 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 p -157.79 161.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.6 m -122.15 139.93 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.448 HD11 ' CG ' ' A' ' 42' ' ' TYR . 16.8 mt -102.31 97.34 8.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' C ' ' CG ' ' A' ' 67' ' ' ASP . 54.1 Cg_endo -69.77 -179.47 2.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' CG ' ' C ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 49.34 53.01 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 74' ' ' TYR . 13.0 mt -107.96 176.34 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -110.31 -174.5 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.82 157.64 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 47.8 52.12 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 m -152.89 144.88 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.442 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.4 mptt -91.5 160.77 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.564 ' CE2' HD21 ' A' ' 68' ' ' LEU . 36.7 m-85 -146.35 105.73 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HD3' ' CD1' ' A' ' 77' ' ' LEU . 4.5 ttt85 -67.98 91.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.39 114.54 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 75' ' ' ARG . 2.5 mp -109.35 106.94 16.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.78 148.62 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -149.69 125.99 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.553 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -83.33 123.14 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -92.12 131.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 8' ' ' ARG . 86.5 m-85 -126.27 154.91 42.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.32 -43.38 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.5 -52.44 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.5 164.06 33.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -86.25 134.45 33.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.2 p -69.98 173.75 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.95 169.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.49 139.62 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.66 118.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 p -84.3 156.95 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.74 120.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 p -93.0 119.32 32.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.466 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -129.24 91.83 0.32 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -52.5 134.87 34.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 p -74.35 -176.82 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.443 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -84.83 158.85 20.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 29.8 p -99.51 151.15 37.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.1 Cg_endo -69.73 -28.3 25.54 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' PRO . 28.8 t -35.22 -46.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.72 146.09 10.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.74 28.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.7 p -125.46 162.25 25.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.3 t -124.1 -61.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -58.24 -62.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -64.87 129.78 41.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.38 49.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -64.72 99.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.356 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -82.82 139.8 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.93 33.83 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.542 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 27.0 mtm105 -125.94 93.51 3.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -101.47 114.31 65.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.718 0.771 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 159.0 55.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 126.69 13.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.83 177.25 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.12 36.32 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD13 ' CG2' ' A' ' 90' ' ' VAL . 12.0 mt -61.24 130.19 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.27 120.9 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 94' ' ' GLY . 9.9 mp -102.27 117.87 35.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 124.51 52.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.47 ' CA ' HD11 ' A' ' 24' ' ' LEU . 20.1 t -97.5 122.24 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CG ' HG22 ' A' ' 20' ' ' THR . 5.6 pt-20 -115.46 -26.42 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.411 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -149.45 146.34 20.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' LEU . 53.5 Cg_endo -69.8 4.01 2.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.5 -22.54 12.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.3 p -151.51 156.87 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD11 ' CA ' ' A' ' 18' ' ' SER . 5.7 tp -131.1 134.89 47.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -85.88 142.43 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.43 135.49 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -133.8 170.05 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -168.68 162.42 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.3 m -88.82 117.1 67.95 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.586 0.708 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 136.78 34.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -168.78 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tp -99.68 -39.91 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.96 155.4 4.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 99.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -99.11 133.02 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.34 -56.44 4.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.949 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.433 ' CE1' HG12 ' A' ' 81' ' ' ILE . 5.8 p80 -146.73 176.03 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.468 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 34.4 m-85 -120.79 94.16 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -62.6 94.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.7 tt -89.48 140.08 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -139.1 106.66 5.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -105.99 147.54 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -171.28 163.27 5.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' ALA . 53.7 Cg_endo -69.82 99.9 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.36 -41.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -42.0 -59.82 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.24 54.74 1.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.57 20.75 11.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -176.07 -171.3 39.74 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 174.65 9.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.29 157.03 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -110.03 177.27 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 m -166.22 123.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.23 142.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 t -85.55 149.48 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.51 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.0 t -130.08 137.24 30.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.51 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 53.2 Cg_endo -69.83 -0.67 7.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.38 -48.83 1.87 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.81 -41.72 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' HD3' ' CG ' ' A' ' 57' ' ' PRO . 13.4 ptt180 -94.42 135.17 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -96.15 32.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -159.68 159.97 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 40' ' ' LEU . 8.3 p -166.18 147.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -100.01 136.55 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.24 94.65 7.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.78 7.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.372 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.21 55.0 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 74' ' ' TYR . 29.2 mt -115.97 160.48 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.8 -176.96 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.468 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . . . -110.16 149.97 29.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 55.5 48.4 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -150.99 143.09 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.1 mppt? -86.74 170.19 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.571 ' CE2' HD22 ' A' ' 68' ' ' LEU . 59.9 m-85 -155.96 106.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.02 103.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 t -89.83 113.25 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mp -108.32 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 t -111.83 158.94 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 9.6 m -158.06 128.18 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.471 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -79.46 125.34 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.591 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.29 120.33 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 80' ' ' ALA . 61.2 m-85 -113.33 162.33 16.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.93 -48.56 11.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.96 -57.53 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.53 168.95 41.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -88.3 142.58 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.6 p -75.94 177.03 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.72 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.08 125.04 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.42 ' CG2' HD13 ' A' ' 14' ' ' LEU . 3.3 m -99.41 123.61 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -95.68 153.47 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.61 144.91 18.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.3 p -107.94 136.32 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.476 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -147.57 92.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -49.36 141.52 8.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.453 HG23 ' CE1' ' A' ' 74' ' ' TYR . 9.5 p -84.15 -178.6 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -86.62 145.96 26.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.5 t -107.74 138.3 19.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 70' ' ' ALA . 53.9 Cg_endo -69.72 93.34 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.9 t -117.09 -53.57 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.79 160.17 27.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 103' ' ' SER . 53.3 Cg_endo -69.78 2.84 3.18 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 102' ' ' PRO . 4.7 t -34.86 -61.59 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.6 m -38.77 154.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 90.9 p 37.49 41.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -99.5 -51.54 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.26 -127.28 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -63.08 149.54 44.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.384 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.6 p -92.16 79.86 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.22 -175.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 45.9 mtm180 -69.82 130.07 41.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -114.72 120.01 38.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.735 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 160.16 50.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.02 14.0 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -117.86 177.53 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 62.21 34.99 15.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD13 ' CG2' ' A' ' 90' ' ' VAL . 13.5 mt -61.51 130.35 45.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.31 117.01 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -98.85 117.7 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.04 131.3 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -104.38 122.22 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.1 -3.73 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 22' ' ' ASP . 3.4 t -175.56 145.25 0.81 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 18.56 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.8 p30 -128.17 -11.18 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -151.17 153.81 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 11.2 tp -137.06 111.5 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.96 145.23 55.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 p -150.19 131.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.4 t -134.35 -178.76 5.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -175.19 -177.91 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -110.14 118.17 50.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 138.69 38.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -98.03 -29.97 12.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.81 147.85 50.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.518 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.36 106.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.35 131.54 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.55 -62.62 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.491 ' CE1' HG12 ' A' ' 81' ' ' ILE . 6.4 p80 -143.51 -175.5 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -127.31 94.34 3.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.72 100.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 tt -93.63 140.83 29.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -145.78 105.18 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.488 ' CZ ' ' CB ' ' A' ' 52' ' ' LYS . 51.8 p90 -98.85 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -169.54 162.34 7.21 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 45' ' ' ALA . 54.0 Cg_endo -69.74 91.05 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -34.33 -42.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -55.8 -51.49 67.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' PRO . . . 113.04 45.84 0.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -130.62 43.33 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -179.63 167.35 37.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 177.69 5.32 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -105.81 108.89 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 64.7 mmtt -83.53 172.79 12.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 m -161.25 136.84 7.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.96 161.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.407 ' C ' HG21 ' A' ' 56' ' ' VAL . 80.8 p -102.35 154.76 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.407 HG21 ' C ' ' A' ' 55' ' ' SER . 93.8 t -142.63 131.64 11.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' GLY . 53.2 Cg_endo -69.78 112.97 3.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.23 -36.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.51 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -103.95 157.92 16.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -115.3 16.41 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -142.03 159.61 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.5 p -161.9 -179.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -134.29 135.82 43.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 mt -103.24 95.85 7.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.51 5.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 54.6 54.3 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.501 HD23 ' CZ ' ' A' ' 74' ' ' TYR . 14.9 mt -112.83 160.01 18.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -85.65 -174.85 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.72 150.45 36.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.87 40.0 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -153.22 112.93 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -64.09 177.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.501 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 29.8 m-85 -148.91 111.18 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' ALA . 16.2 ttm180 -57.45 100.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.9 t -86.34 116.27 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -112.79 107.06 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 t -105.3 147.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.44 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -146.73 124.47 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 82' ' ' TYR . . . -77.8 127.52 32.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.32 131.71 44.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 8' ' ' ARG . 78.1 m-85 -122.55 163.76 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.46 -44.79 25.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.97 -50.13 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.36 -176.4 41.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -105.39 141.55 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.9 p -74.78 173.18 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.95 178.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.69 134.68 54.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.438 ' CG2' HD13 ' A' ' 14' ' ' LEU . 3.8 m -105.31 119.78 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -156.75 127.78 6.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.7 p -99.0 128.95 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -140.93 95.99 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.44 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 48.2 tt0 -50.46 136.61 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -178.77 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.43 169.56 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.72 151.89 43.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.94 1.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.3 t -45.01 -49.17 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.6 144.72 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -22.1 32.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.6 m -92.36 156.37 17.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.4 m -128.02 100.42 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -55.64 156.75 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -154.01 152.73 30.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.31 -74.74 0.74 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -63.5 164.43 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -71.34 146.04 49.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.26 -72.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 64.3 mtm180 -88.31 120.48 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -131.04 120.8 18.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 127.22 14.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.704 2.27 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.51 175.42 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 62.49 42.38 8.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD11 ' CB ' ' A' ' 92' ' ' ALA . 12.3 mt -63.55 129.8 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 105.93 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.063 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 94' ' ' GLY . 9.2 mp -91.07 116.03 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.89 125.76 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 t -98.99 123.78 43.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -116.2 -27.58 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.91 147.22 31.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.116 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 4.62 2.09 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -120.68 -3.36 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -155.23 150.74 27.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' N ' HD11 ' A' ' 68' ' ' LEU . 6.8 tp -133.96 121.59 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.01 139.61 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -142.68 125.26 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 p -125.42 169.11 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CH2' HD11 ' A' ' 40' ' ' LEU . 30.7 p90 -166.23 172.08 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.8 m -95.46 115.35 65.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.46 21.3 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -173.09 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -97.55 -43.73 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.44 138.23 18.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 102.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 38' ' ' TYR . 3.4 p -106.99 112.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.6 -68.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.573 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.0 p80 -139.2 162.64 34.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.514 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 96.9 m-85 -105.69 91.81 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -58.32 106.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.534 HD11 ' CH2' ' A' ' 28' ' ' TRP . 1.1 tt -100.04 132.7 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 p -131.72 91.91 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.558 ' CD2' HD21 ' A' ' 65' ' ' LEU . 26.7 p90 -90.93 140.8 29.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 44' ' ' PRO . . . -168.47 168.88 5.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.8 128.47 16.04 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.75 -71.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 m -96.89 11.78 34.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA3' ' HB2' ' A' ' 44' ' ' PRO . . . -41.15 -32.11 0.6 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mt 45.34 46.56 10.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 50' ' ' PRO . . . -157.84 -133.24 1.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 49' ' ' GLY . 53.5 Cg_endo -69.76 165.55 30.59 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.7 169.28 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 25.3 mmtm -132.51 163.16 29.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.3 p -156.71 152.62 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.8 148.63 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.2 p -90.65 141.43 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -135.5 125.5 16.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' GLY . 54.1 Cg_endo -69.74 119.41 6.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.401 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.478 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.57 -38.71 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.27 -44.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -104.71 156.54 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -117.56 35.92 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -165.91 166.56 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 p -170.56 152.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -103.06 135.53 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.558 HD21 ' CD2' ' A' ' 42' ' ' TYR . 12.0 mt -103.62 94.72 6.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.2 Cg_endo -69.77 -179.38 2.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.74 55.02 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 19.4 mt -115.06 162.86 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -100.09 -175.8 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.52 146.68 40.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 59.35 50.99 7.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.0 m -157.29 131.18 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 2.4 mppt? -79.84 154.05 28.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE2' ' CD2' ' A' ' 68' ' ' LEU . 20.0 m-85 -134.91 98.18 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' ALA . 2.6 ttm180 -53.68 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.4 t -80.5 118.75 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.16 107.84 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 79' ' ' SER . 46.9 t -107.52 146.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.459 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.2 m -144.55 120.45 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.446 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -73.1 121.08 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 37' ' ' HIS . 18.8 mm -88.02 143.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 58.7 m-85 -136.17 159.73 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.12 -48.74 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.83 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.58 -164.42 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.446 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 2.8 ptt180 -119.38 137.1 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.3 p -64.33 171.32 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -50.39 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.58 119.78 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 m -95.72 129.06 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.8 p -90.22 161.85 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.407 ' CB ' HD11 ' A' ' 14' ' ' LEU . . . -163.25 125.85 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 p -98.47 123.77 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.462 ' N ' HD23 ' A' ' 16' ' ' LEU . . . -135.25 98.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.52 135.31 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 p -77.35 -178.76 5.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.88 124.23 32.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.21 161.49 3.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.724 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.8 Cg_endo -69.71 2.74 3.23 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 99' ' ' PRO . 1.1 t -34.44 -56.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.13 146.14 5.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.61 7.16 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.7 t -90.81 88.33 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.7 m -91.15 81.72 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.53 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.554 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 81.4 mtm180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -118.45 122.71 29.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 158.45 56.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.435 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.73 126.89 13.86 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -119.38 178.05 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 m120 64.28 34.6 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 90' ' ' VAL . 11.6 mt -57.57 131.41 50.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.82 109.76 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.79 112.02 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.13 126.44 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' HD12 ' A' ' 24' ' ' LEU . 8.6 t -102.54 114.79 29.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.07 -20.34 13.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.5 146.92 20.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.131 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.19 2.93 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.293 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.5 -10.28 11.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -149.04 155.44 40.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 18' ' ' SER . 5.9 tp -137.04 119.14 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.4 142.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.466 HG21 HG11 ' A' ' 76' ' ' VAL . 2.5 p -150.39 129.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 t -132.85 -177.1 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 p90 -174.03 167.77 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 53.7 m -94.25 108.73 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.6 Cg_endo -69.79 142.88 48.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -178.05 2.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.8 pt? -86.79 -29.66 22.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 156.57 52.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 34' ' ' ARG . 1.8 tmm_? -72.2 121.72 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.785 HG11 ' CE1' ' A' ' 38' ' ' TYR . 44.8 t -110.13 124.98 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.17 -61.94 2.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.799 ' CE1' HG21 ' A' ' 81' ' ' ILE . 16.7 p-80 -148.55 170.35 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.785 ' CE1' HG11 ' A' ' 35' ' ' VAL . 18.2 m-85 -115.87 102.96 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -74.14 100.27 3.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD21 HG13 ' A' ' 76' ' ' VAL . 1.4 tt -94.31 135.01 36.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 p -134.98 89.35 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.477 ' CD1' HD22 ' A' ' 65' ' ' LEU . 34.0 p90 -92.57 155.6 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -172.7 168.57 2.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.752 0.311 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.0 p -169.84 137.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG21 ' CD2' ' A' ' 65' ' ' LEU . 22.3 m -134.94 133.47 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -79.12 153.09 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.669 HG13 ' HD2' ' A' ' 57' ' ' PRO . 93.3 t -148.08 138.83 13.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.669 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.9 Cg_endo -69.71 109.01 2.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.92 -29.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -45.88 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -102.39 151.57 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 20.3 p -109.8 35.93 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -159.66 162.07 35.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 40' ' ' LEU . 7.2 p -169.41 146.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -105.56 134.18 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 42' ' ' TYR . 13.3 mt -104.05 95.17 7.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.8 179.82 3.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.305 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.24 50.52 13.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 24' ' ' LEU . 23.9 mt -108.98 163.75 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -94.77 -175.48 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.26 158.1 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 40.91 51.26 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -158.35 116.22 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -70.37 176.55 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 32.2 m-85 -149.46 125.46 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -73.25 92.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.648 HG13 HD21 ' A' ' 40' ' ' LEU . 80.6 t -81.36 114.87 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp -111.84 106.87 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -101.24 154.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.18 128.78 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.491 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -83.14 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.799 HG21 ' CE1' ' A' ' 37' ' ' HIS . 1.0 OUTLIER -97.14 128.25 48.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 79.4 m-85 -119.65 171.15 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.08 -44.95 75.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.79 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.57 178.38 44.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -100.52 142.9 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.5 p -76.49 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -52.12 -179.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.32 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.545 HG23 HD11 ' A' ' 14' ' ' LEU . 3.3 m -107.76 117.86 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -88.94 153.85 20.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.2 115.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.0 p -90.97 130.14 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.27 108.42 0.67 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -55.36 132.57 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 179.76 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 53.4 mtm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.6 t -126.6 120.92 23.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.902 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 159.02 55.0 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.398 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.68 ' O ' HG21 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.76 121.62 8.31 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -114.88 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD11 HG23 ' A' ' 90' ' ' VAL . 11.7 mt -66.98 120.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.32 100.45 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.503 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.3 mp -79.55 114.64 18.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.95 121.68 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.5 t -96.2 118.0 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -108.39 -32.26 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.34 146.53 45.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.34 0.27 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.28 146.44 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.7 tp -126.28 126.6 44.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.69 141.34 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 63' ' ' VAL . 1.3 p -138.35 127.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -128.08 137.65 52.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CE2' ' O ' ' A' ' 61' ' ' SER . 47.0 p90 -134.34 172.59 12.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.5 m -102.73 112.02 65.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.55 40.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -171.27 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 32' ' ' LEU . 1.1 tm? -89.4 -49.82 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.91 164.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.468 HH12 ' HB2' ' A' ' 83' ' ' ALA . 5.8 tmm_? -83.22 114.58 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG22 ' CE1' ' A' ' 82' ' ' TYR . 61.7 t -107.76 124.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' NH1' ' A' ' 34' ' ' ARG . 18.6 mt -62.77 -65.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.577 ' CE1' HG12 ' A' ' 81' ' ' ILE . 8.4 p80 -141.33 167.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -113.5 100.75 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -73.61 101.31 3.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.791 HD21 HG13 ' A' ' 76' ' ' VAL . 1.3 tt -96.15 135.22 38.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' HB3' ' A' ' 53' ' ' SER . 5.6 p -135.16 104.88 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.956 ' CD1' HD22 ' A' ' 65' ' ' LEU . 50.5 p90 -98.15 142.84 29.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.33 152.79 31.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 69.2 mmtt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.796 0.331 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.605 ' HB3' HG22 ' A' ' 41' ' ' THR . 97.4 p -144.08 133.16 22.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.441 HG13 ' HE1' ' A' ' 42' ' ' TYR . 28.8 m -125.04 133.58 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -79.7 144.47 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 57' ' ' PRO . 79.5 t -138.81 136.46 18.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 111.088 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.1 Cg_endo -69.81 119.79 6.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.627 2.218 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -42.31 -37.49 2.46 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.29 -44.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.503 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.8 ptp180 -107.15 160.7 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.439 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 51.8 p -123.96 31.51 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.3 m80 -151.09 148.68 28.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.573 ' CG1' HD13 ' A' ' 40' ' ' LEU . 5.2 p -163.02 152.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 m -105.24 144.73 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.956 HD22 ' CD1' ' A' ' 42' ' ' TYR . 9.3 mt -109.23 94.89 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.78 178.63 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 58.11 53.84 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 20.9 mt -117.82 168.26 10.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -105.59 -178.41 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.75 159.39 15.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 44.43 47.84 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -155.01 112.0 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -69.17 175.55 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 38.2 m-85 -152.58 123.82 7.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.52 96.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.791 HG13 HD21 ' A' ' 40' ' ' LEU . 92.8 t -85.38 116.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.22 109.22 20.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.618 HG22 ' HG ' ' A' ' 40' ' ' LEU . 9.8 t -108.6 137.19 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 41.9 m -138.66 128.24 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.536 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.5 131.53 37.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.1 mp -99.27 134.17 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.7 ' CE1' HG22 ' A' ' 35' ' ' VAL . 95.9 m-85 -125.87 162.17 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.468 ' HB2' HH12 ' A' ' 34' ' ' ARG . . . -47.11 -45.09 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.25 -54.59 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' CD ' ' A' ' 8' ' ' ARG . . . -172.76 165.0 37.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -83.79 145.56 28.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -79.97 174.48 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.22 175.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.66 128.93 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.68 HG21 ' O ' ' A' ' 11' ' ' PRO . 8.4 m -99.85 127.22 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 p -87.89 159.62 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.95 117.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 p -95.79 124.23 39.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.503 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -132.58 107.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -58.81 128.32 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -67.63 177.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.44 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.562 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 46.6 mtm180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 t -129.47 119.69 19.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 158.14 58.03 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.2 Cg_endo -69.82 123.91 10.55 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -114.79 178.05 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 63.46 37.56 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 90' ' ' VAL . 13.4 mt -61.74 126.48 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.65 109.04 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.604 HD23 HD21 ' A' ' 24' ' ' LEU . 8.4 mp -94.1 115.19 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.85 128.33 56.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 12.4 t -102.78 118.09 36.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.486 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.2 pt-20 -114.45 -20.54 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.486 HG22 ' CG ' ' A' ' 19' ' ' GLU . 1.4 t -155.86 145.41 15.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.551 0.691 . . . . 0.0 111.184 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.545 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.72 5.77 1.56 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -110.33 -16.27 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.452 ' HB2' HG22 ' A' ' 64' ' ' THR . 99.4 p -153.87 157.93 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD21 HD23 ' A' ' 16' ' ' LEU . 5.9 tp -134.3 119.72 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.3 tp-100 -72.09 141.65 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.634 HG21 HG11 ' A' ' 76' ' ' VAL . 7.4 p -148.7 128.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -133.23 172.09 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CH2' HD12 ' A' ' 40' ' ' LEU . 29.9 p90 -164.42 178.32 7.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 m -104.28 115.58 62.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 140.5 42.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -164.36 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.4 pt? -104.36 -28.52 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.3 145.49 40.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 115.54 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.697 HG22 ' CE1' ' A' ' 82' ' ' TYR . 88.9 t -109.68 120.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 mt -62.99 -61.53 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.617 ' CE1' HG21 ' A' ' 81' ' ' ILE . 13.0 p-80 -146.67 169.44 19.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 51.9 m-85 -115.21 99.77 7.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -69.01 101.27 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.601 HD22 HD21 ' A' ' 65' ' ' LEU . 1.3 tt -98.53 136.42 38.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 53' ' ' SER . 2.9 p -139.05 105.68 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.691 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.1 p90 -98.78 151.3 20.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.867 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -150.36 169.11 9.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.867 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 18.8 mmtp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.431 ' HB3' HG22 ' A' ' 41' ' ' THR . 78.8 p -145.65 147.75 32.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.454 HG13 ' HE1' ' A' ' 42' ' ' TYR . 24.8 m -143.2 147.22 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -93.11 148.04 22.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 57' ' ' PRO . 88.8 t -139.4 138.62 20.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.2 Cg_endo -69.78 108.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.632 2.221 . . . . 0.0 112.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -36.71 -30.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -46.19 -47.56 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 111.068 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.506 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.1 ptp180 -100.34 165.95 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 p -125.04 25.87 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -150.01 149.87 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.623 HG22 ' H ' ' A' ' 64' ' ' THR . 1.9 p -158.8 173.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.623 ' H ' HG22 ' A' ' 63' ' ' VAL . 3.1 m -129.24 135.91 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.691 HD22 ' CD1' ' A' ' 42' ' ' TYR . 10.4 mt -104.13 95.24 7.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.71 177.31 5.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.258 . . . . 0.0 112.337 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.1 t0 61.35 54.83 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 15.7 mt -114.0 176.71 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -111.73 -174.95 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 21' ' ' PRO . . . -115.23 132.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . 72.24 45.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.5 m -158.52 106.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -57.85 178.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 51.8 m-85 -154.48 120.05 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.71 ' HD3' HD11 ' A' ' 77' ' ' LEU . 12.3 ttt180 -69.95 99.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.634 HG11 HG21 ' A' ' 26' ' ' VAL . 89.6 t -88.16 113.57 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.71 HD11 ' HD3' ' A' ' 75' ' ' ARG . 4.3 mp -104.54 117.05 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.615 HG12 ' HG3' ' A' ' 11' ' ' PRO . 7.7 t -116.52 133.97 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 51.0 m -136.85 124.22 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -76.12 127.21 32.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.617 HG21 ' CE1' ' A' ' 37' ' ' HIS . 1.0 OUTLIER -92.91 149.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.697 ' CE1' HG22 ' A' ' 35' ' ' VAL . 85.5 m-85 -142.92 161.23 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.38 -48.97 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.0 -55.28 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.1 38.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.2 ptt85 -85.86 145.09 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.1 p -76.77 175.4 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.15 176.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.54 131.6 56.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.545 HG23 HD11 ' A' ' 14' ' ' LEU . 3.7 m -104.1 120.74 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -89.04 154.33 20.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -160.96 116.76 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.2 p -90.99 125.56 35.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -130.72 107.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.06 126.15 24.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -71.95 -179.83 2.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 23.9 mtm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -117.33 116.04 37.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.76 55.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.616 2.211 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.524 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.78 124.83 11.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -117.99 178.14 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 62.67 38.36 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD11 HG23 ' A' ' 90' ' ' VAL . 11.2 mt -63.43 121.57 14.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.3 103.72 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.55 HD23 HD21 ' A' ' 24' ' ' LEU . 8.5 mp -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.86 128.31 56.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.9 t -102.64 114.97 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.578 ' CG ' HG22 ' A' ' 20' ' ' THR . 4.9 pt-20 -108.42 -30.51 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.578 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -141.71 144.47 33.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.37 2.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.296 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.18 -4.41 12.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' THR . 4.9 m -157.76 153.83 27.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD21 HD23 ' A' ' 16' ' ' LEU . 7.4 tp -133.01 120.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -81.9 139.41 34.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.1 p -143.22 126.61 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -123.58 169.94 10.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.73 171.29 15.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 m -96.28 105.66 23.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.62 30.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.89 3.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -85.32 -46.0 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.84 156.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -73.08 111.06 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' CE1' ' A' ' 38' ' ' TYR . 53.0 t -106.64 105.46 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -48.7 -66.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.58 ' CE1' HG12 ' A' ' 81' ' ' ILE . 7.7 p80 -140.52 161.56 37.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.66 ' CE1' HG11 ' A' ' 35' ' ' VAL . 62.0 m-85 -110.02 95.75 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -61.64 99.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.605 HD13 HG11 ' A' ' 63' ' ' VAL . 1.4 tt -94.18 146.13 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.594 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.8 p -152.25 105.14 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.566 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.5 p90 -95.63 156.47 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.793 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -156.21 166.88 15.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.577 0.703 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.793 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 40.6 mmtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.594 ' HB3' HG22 ' A' ' 41' ' ' THR . 84.5 p -163.46 127.68 2.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.3 m -126.94 140.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.4 t -85.33 144.82 27.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.555 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.7 t -132.38 135.79 26.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.555 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.84 110.26 2.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.36 -33.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -42.19 -48.94 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -103.33 152.8 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -111.13 33.64 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -162.68 153.24 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.605 HG11 HD13 ' A' ' 40' ' ' LEU . 7.6 p -159.05 151.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.8 m -100.61 137.91 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 42' ' ' TYR . 22.8 mt -107.4 96.29 15.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.86 179.93 3.4 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.616 2.211 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 57.51 51.79 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.603 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 13.0 mt -112.52 163.21 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -98.27 -179.09 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.48 143.52 38.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 61.1 42.39 12.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 88.1 m -152.03 105.21 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CD ' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -56.83 173.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.603 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 46.2 m-85 -151.96 114.45 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -70.18 104.91 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 HD21 ' A' ' 40' ' ' LEU . 88.9 t -87.94 117.36 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mp -106.22 114.18 28.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.5 t -114.17 151.72 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.508 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 45.1 m -155.4 124.5 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.521 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -75.18 128.41 35.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.592 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -99.05 125.2 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CE1' HG22 ' A' ' 35' ' ' VAL . 61.0 m-85 -118.87 165.3 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.45 -48.21 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -51.79 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.58 169.21 41.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -88.79 143.58 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.8 p -75.02 174.04 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -52.94 170.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.23 123.94 49.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 11' ' ' PRO . 15.1 m -97.59 127.68 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 p -94.03 157.03 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.18 114.44 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -90.85 136.55 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.432 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -141.64 107.08 0.49 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.52 133.61 55.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -76.58 -178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.83 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.4 mtm-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.821 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -123.68 123.46 26.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 155.55 65.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.498 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.9 Cg_endo -69.75 126.7 13.62 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.707 2.271 . . . . 0.0 112.383 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.8 m -115.33 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 63.14 34.56 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.717 HD11 HG23 ' A' ' 90' ' ' VAL . 12.4 mt -59.4 128.01 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.2 112.19 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 24' ' ' LEU . 9.2 mp -94.92 114.28 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.11 130.83 56.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 21.2 t -102.78 121.61 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 20' ' ' THR . 9.8 pt-20 -117.77 -21.42 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -150.3 144.48 17.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 2.77 3.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -2.54 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.594 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -160.28 152.17 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.762 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.707 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.9 tp -131.49 128.56 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.38 145.25 30.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 76' ' ' VAL . 2.6 p -147.82 133.4 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.9 p -134.56 169.51 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 61' ' ' SER . 35.2 p90 -165.04 174.88 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 m -100.2 115.68 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.542 0.686 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.76 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -164.13 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.4 pt? -101.1 -30.78 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.75 156.16 53.4 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -67.27 114.21 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.82 HG11 ' CE1' ' A' ' 38' ' ' TYR . 90.8 t -107.37 104.45 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 mt -51.04 -62.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.0 p80 -146.6 152.29 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.82 ' CE1' HG11 ' A' ' 35' ' ' VAL . 83.5 m-85 -100.44 94.57 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.428 ' HB2' HD11 ' A' ' 81' ' ' ILE . 26.3 t-105 -59.1 106.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.662 HD22 HD21 ' A' ' 65' ' ' LEU . 1.4 tt -100.28 146.38 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 53' ' ' SER . 6.7 p -152.66 104.99 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.486 ' CD1' HD22 ' A' ' 65' ' ' LEU . 47.1 p90 -94.77 166.27 12.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -169.57 168.8 4.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.076 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 46.9 mmtt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.512 ' HB3' HG22 ' A' ' 41' ' ' THR . 93.3 p -168.53 134.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.18 133.58 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.7 t -78.29 134.05 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.45 126.55 24.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 125.1 11.71 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -40.54 -37.73 1.3 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.82 -46.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -106.92 151.88 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 10.9 t -108.18 16.34 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -152.28 163.02 40.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 p -166.02 158.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -102.47 145.06 30.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.662 HD21 HD22 ' A' ' 40' ' ' LEU . 9.1 mt -116.02 94.92 43.13 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 179.13 3.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.291 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.61 52.04 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 24' ' ' LEU . 21.7 mt -107.89 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -105.16 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.46 143.89 35.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 43.39 50.01 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.8 m -151.27 104.98 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' C ' ' HD2' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -50.75 174.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' CE1' HD22 ' A' ' 68' ' ' LEU . 34.4 m-85 -153.68 114.14 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.43 102.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 26' ' ' VAL . 59.2 t -92.33 105.71 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.95 109.34 22.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.28 138.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 m -134.84 129.34 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.12 121.04 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.751 HD13 ' HB3' ' A' ' 86' ' ' ARG . 14.2 mm -90.74 146.24 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.61 ' CE1' HG22 ' A' ' 35' ' ' VAL . 67.3 m-85 -139.7 164.42 29.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.57 -50.26 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.63 -53.3 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -163.98 -160.53 11.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.751 ' HB3' HD13 ' A' ' 81' ' ' ILE . 4.6 ptt180 -122.8 142.87 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -71.16 174.44 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -53.96 -177.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.7 130.7 55.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.717 HG23 HD11 ' A' ' 14' ' ' LEU . 5.1 m -105.18 125.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 p -90.42 159.44 16.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.67 113.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.5 p -89.61 137.61 32.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.42 103.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -51.58 130.35 27.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -76.3 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 56.6 mtm-85 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -142.76 120.85 7.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 161.79 44.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.53 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.84 130.33 19.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -119.78 178.08 4.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 64.54 36.8 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 92' ' ' ALA . 16.5 mt -60.09 130.4 46.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.01 97.93 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 mp -85.79 115.79 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.75 135.35 54.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -110.8 112.32 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -108.25 -31.93 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.9 147.0 57.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -122.07 1.9 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.61 151.76 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.515 ' C ' HG23 ' A' ' 64' ' ' THR . 6.2 tp -137.87 115.53 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.597 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.9 tp-100 -68.18 140.95 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.82 HG21 HG11 ' A' ' 76' ' ' VAL . 2.4 p -147.59 115.13 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -122.78 169.99 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CH2' HD12 ' A' ' 40' ' ' LEU . 39.1 p90 -165.23 174.15 10.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -105.34 118.92 54.54 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.5 Cg_endo -69.78 142.5 48.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.6 pt? -93.52 -25.87 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.59 149.64 43.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' NE ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -67.75 110.15 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.734 HG22 ' CE1' ' A' ' 82' ' ' TYR . 62.6 t -101.51 120.07 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' NE ' ' A' ' 34' ' ' ARG . 53.7 mt -63.36 -67.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.543 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.1 p80 -136.31 151.66 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CE1' HG11 ' A' ' 35' ' ' VAL . 32.0 m-85 -99.7 97.86 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -70.23 99.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.713 HD13 HG11 ' A' ' 63' ' ' VAL . 1.8 tt -96.29 133.52 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.716 HG22 ' HB3' ' A' ' 53' ' ' SER . 17.1 p -135.88 104.22 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.808 ' CD1' HD22 ' A' ' 65' ' ' LEU . 45.4 p90 -96.82 164.81 12.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.857 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -162.28 168.97 9.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.857 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.26 . . . . 0.0 112.388 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 22.8 mmtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.758 0.313 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.716 ' HB3' HG22 ' A' ' 41' ' ' THR . 52.0 p -161.05 115.23 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 54' ' ' VAL . 33.5 m -109.35 127.5 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.3 t -76.18 139.72 41.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.583 HG13 ' HD2' ' A' ' 57' ' ' PRO . 98.3 t -134.45 136.78 26.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.583 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.388 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -42.32 -30.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.71 -45.12 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -107.72 150.55 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.451 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 35.6 p -115.93 26.72 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.02 144.12 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 40' ' ' LEU . 1.8 p -160.89 168.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.515 HG23 ' C ' ' A' ' 24' ' ' LEU . 7.8 m -132.92 144.71 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.808 HD22 ' CD1' ' A' ' 42' ' ' TYR . 14.4 mt -103.13 95.92 7.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.82 179.8 3.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.285 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 t0 50.96 54.95 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.674 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 14.0 mt -110.29 -176.44 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -114.05 -175.08 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.56 150.16 30.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.39 52.39 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.1 m -162.67 105.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -58.38 172.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.674 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 27.4 m-85 -147.05 109.12 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -60.89 99.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 26' ' ' VAL . 79.8 t -87.65 109.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -102.26 109.35 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.542 HG22 ' HG ' ' A' ' 40' ' ' LEU . 17.6 t -106.8 143.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -141.33 132.48 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.18 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' A' ' 86' ' ' ARG . 8.8 mm -90.55 134.5 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.734 ' CE1' HG22 ' A' ' 35' ' ' VAL . 90.0 m-85 -128.54 165.88 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.47 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.01 -50.96 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.35 -168.75 32.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.647 ' HB3' HD13 ' A' ' 81' ' ' ILE . 9.6 ptt180 -115.21 138.55 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.6 p -66.63 176.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.0 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.59 121.75 40.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 11' ' ' PRO . 9.4 m -95.18 123.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 p -89.74 160.42 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -169.6 119.07 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.3 p -96.98 129.05 44.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -132.13 90.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -40.41 134.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.427 HG22 HD13 ' A' ' 24' ' ' LEU . 18.7 p -79.46 -175.53 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.46 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 32.8 mtt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -112.75 119.85 42.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 158.49 56.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.7 140.28 42.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -131.12 177.6 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.33 37.29 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 92' ' ' ALA . 11.7 mt -62.29 126.58 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.03 106.29 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.587 HD23 HD21 ' A' ' 24' ' ' LEU . 8.3 mp -89.72 114.48 26.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.91 121.34 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.8 t -98.7 116.5 31.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' A' ' 20' ' ' THR . 5.1 pt-20 -111.68 -26.55 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.565 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -144.62 144.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 53.2 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.22 -0.45 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -159.34 146.11 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.614 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.2 tp -130.01 119.68 23.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -77.94 137.15 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.589 HG21 HG11 ' A' ' 76' ' ' VAL . 2.8 p -140.98 125.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.8 p -127.61 161.89 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.408 ' CH2' HD12 ' A' ' 40' ' ' LEU . 42.1 p90 -157.34 170.78 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.7 m -93.68 113.41 60.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.2 Cg_endo -69.83 137.97 36.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -175.31 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.746 ' O ' HD13 ' A' ' 32' ' ' LEU . 1.3 tm? -95.96 -42.58 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.15 137.72 40.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -55.85 102.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.79 124.3 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD12 HG22 ' A' ' 81' ' ' ILE . 23.1 mt -55.21 -65.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -146.76 176.46 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 42.4 m-85 -116.89 101.71 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -71.11 103.17 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.618 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.3 tt -97.48 134.39 40.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.735 HG22 ' OG ' ' A' ' 53' ' ' SER . 13.6 p -134.98 89.81 2.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.599 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.9 p90 -86.42 143.08 27.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -154.61 154.91 30.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.541 0.686 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.735 ' OG ' HG22 ' A' ' 41' ' ' THR . 45.5 m -154.21 116.39 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 65' ' ' LEU . 34.9 m -119.6 132.33 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -78.98 146.7 33.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.7 t -134.83 136.85 26.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.596 ' HD2' HG13 ' A' ' 56' ' ' VAL . 54.3 Cg_endo -69.74 113.37 3.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.58 -42.3 0.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.9 -46.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.513 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 14.1 ptp180 -105.04 155.35 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.45 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 24.2 p -113.43 33.21 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -161.31 166.66 27.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.6 159.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 3.1 m -107.05 131.0 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 42' ' ' TYR . 23.7 mt -101.78 97.53 8.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.76 178.93 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 54.59 52.06 12.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 24' ' ' LEU . 12.4 mt -110.48 160.4 16.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -93.74 178.56 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . . . -106.91 149.51 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 50.59 43.63 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 61.0 m -152.37 106.95 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.442 ' CA ' ' HA ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -60.51 174.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CE1' HD22 ' A' ' 68' ' ' LEU . 37.5 m-85 -148.36 113.71 5.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ALA . 7.0 ttm180 -61.45 95.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.589 HG11 HG21 ' A' ' 26' ' ' VAL . 71.8 t -82.86 116.78 27.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.89 107.62 16.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.618 HG22 ' HG ' ' A' ' 40' ' ' LEU . 43.4 t -105.38 146.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 132.79 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.501 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -85.54 119.99 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.45 121.73 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CE2' ' HA ' ' A' ' 8' ' ' ARG . 80.6 m-85 -113.08 168.72 9.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.11 -49.47 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.44 -178.07 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -106.25 137.46 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.4 p -72.06 172.71 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -53.66 175.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.83 126.07 54.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.435 HG23 HD11 ' A' ' 14' ' ' LEU . 12.7 m -98.97 128.3 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.0 p -88.65 158.48 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -163.69 110.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -91.56 133.52 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.474 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -145.03 103.28 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -52.99 142.4 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 HD13 ' A' ' 24' ' ' LEU . 7.7 p -88.59 174.68 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 49.4 mtm180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -132.01 120.41 17.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.71 59.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.515 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.78 129.69 18.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -118.15 178.09 4.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 62.46 39.54 11.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 HG23 ' A' ' 90' ' ' VAL . 12.6 mt -64.01 127.87 33.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.0 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD23 HD21 ' A' ' 24' ' ' LEU . 9.6 mp -94.08 117.24 29.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.92 117.32 31.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -98.75 105.28 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -97.23 -21.59 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.82 147.48 27.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.95 3.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.0 -2.71 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.39 153.75 33.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.655 HD21 HD23 ' A' ' 16' ' ' LEU . 7.9 tp -137.99 110.84 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 2.8 tt0 -71.65 149.98 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 76' ' ' VAL . 2.7 p -151.97 131.38 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -128.58 170.45 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -168.03 167.74 12.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.403 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 97.6 m -96.0 110.92 54.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 29' ' ' THR . 54.4 Cg_endo -69.67 142.24 47.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.48 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 32' ' ' LEU . 7.8 tt -104.68 -36.82 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.33 150.99 14.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -64.71 99.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 81' ' ' ILE . 1.4 p -102.38 119.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.8 mt -56.07 -65.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -145.58 176.8 9.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.93 97.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -64.53 99.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.3 tt -90.54 142.34 27.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 p -144.9 105.01 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.644 ' CD2' HD22 ' A' ' 65' ' ' LEU . 41.0 p90 -101.69 155.74 17.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -154.07 169.04 10.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 111.044 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.497 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 40.2 mmtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.14 122.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.3 135.05 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -79.75 148.89 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 57' ' ' PRO . 91.3 t -130.95 137.37 30.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.65 0.738 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.616 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.79 110.95 2.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' ALA . . . -35.53 -44.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -34.01 -46.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.505 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 4.5 ptp180 -104.3 161.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.9 p -117.49 30.39 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -161.22 166.72 27.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 40' ' ' LEU . 6.9 p -171.03 152.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -101.98 140.28 36.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.644 HD22 ' CD2' ' A' ' 42' ' ' TYR . 14.9 mt -108.21 95.39 15.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.63 4.35 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.375 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.0 54.31 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 24' ' ' LEU . 24.0 mt -113.61 169.5 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -98.24 -175.09 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.34 155.79 21.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 42.57 32.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -136.98 106.29 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -57.48 173.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.463 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 27.5 m-85 -149.04 109.77 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -57.73 104.68 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 26' ' ' VAL . 53.2 t -95.38 111.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -108.27 110.8 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 t -107.66 151.47 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.71 134.42 16.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.78 117.06 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.1 mm -86.56 135.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 73.1 m-85 -130.27 162.47 28.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.49 -52.27 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.24 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.16 -174.2 35.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' CB ' HD13 ' A' ' 81' ' ' ILE . 7.1 ptt-85 -107.75 141.91 38.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -69.36 178.33 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.37 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.0 123.32 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 14' ' ' LEU . 10.9 m -100.76 117.11 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -87.67 166.37 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.2 116.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -92.05 125.53 36.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.75 92.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 31.6 tt0 -47.34 120.9 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 p -60.73 -176.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 71.3 mtm180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -118.09 121.9 30.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.696 0.76 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 157.3 60.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 127.79 15.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -113.29 177.83 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 62.25 46.46 6.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 92' ' ' ALA . 12.3 mt -65.43 131.04 45.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.65 112.1 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 24' ' ' LEU . 8.8 mp -93.88 105.08 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.79 124.39 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.733 ' CB ' HD12 ' A' ' 24' ' ' LEU . 2.4 p -100.77 123.78 45.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 5.2 mt-10 -102.68 -18.58 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.56 148.8 32.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.521 0.677 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -121.0 -0.46 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -157.33 149.32 22.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.733 HD12 ' CB ' ' A' ' 18' ' ' SER . 6.9 tp -125.17 124.82 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.4 tt0 -84.53 142.44 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG21 HG11 ' A' ' 76' ' ' VAL . 6.8 p -143.48 137.81 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.3 p -135.8 174.65 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -170.2 168.03 8.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.2 m -92.89 106.73 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.34 42.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -165.23 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.5 pt? -104.74 -27.07 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.89 150.23 46.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.19 106.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.716 HG22 ' CE1' ' A' ' 82' ' ' TYR . 89.9 t -105.16 117.22 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.85 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.615 ' CE1' HG21 ' A' ' 81' ' ' ILE . 5.3 p-80 -140.67 176.76 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE1' HG11 ' A' ' 35' ' ' VAL . 28.8 m-85 -123.07 92.29 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -61.19 110.24 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.2 tt -104.33 138.86 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.723 HG22 ' OG ' ' A' ' 53' ' ' SER . 2.1 p -140.95 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.435 ' CD1' HD22 ' A' ' 65' ' ' LEU . 54.9 p90 -102.6 161.55 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -173.23 164.07 3.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 20.8 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.729 0.3 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.723 ' OG ' HG22 ' A' ' 41' ' ' THR . 6.5 m -154.73 123.98 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.67 135.0 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -81.3 142.35 33.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.657 HG13 ' HD2' ' A' ' 57' ' ' PRO . 92.7 t -128.99 138.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.657 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.7 Cg_endo -69.78 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -35.93 -43.16 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.26 -43.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 4.5 ptp180 -107.08 142.91 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.7 p -102.67 33.08 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -163.69 155.51 17.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.537 HG11 HD13 ' A' ' 40' ' ' LEU . 7.5 p -160.56 154.48 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -104.66 135.3 46.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD22 ' CD1' ' A' ' 42' ' ' TYR . 13.2 mt -105.27 95.29 9.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 179.36 3.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 t0 58.28 54.82 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 21.0 mt -120.78 168.8 11.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' O ' HG21 ' A' ' 96' ' ' THR . 6.4 mm100 -102.74 174.97 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.37 152.49 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 54.78 37.09 27.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.445 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 58.8 m -148.94 105.46 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' CA ' ' HA ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -62.16 174.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.484 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 64.6 m-85 -151.36 119.26 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -64.68 100.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.677 HG13 HD21 ' A' ' 40' ' ' LEU . 71.9 t -92.05 107.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mp -103.26 117.54 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.724 HG22 ' HG ' ' A' ' 40' ' ' LEU . 42.1 t -115.3 146.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -142.06 132.32 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.476 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -80.77 127.6 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.1 mp -95.86 144.24 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.716 ' CE1' HG22 ' A' ' 35' ' ' VAL . 89.6 m-85 -138.67 170.38 16.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -44.76 80.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.31 30.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.99 169.86 39.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -89.43 145.95 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 p -77.57 177.01 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.57 -179.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.01 129.33 55.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.01 121.27 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -90.61 165.21 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -172.76 129.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.415 ' C ' HD22 ' A' ' 16' ' ' LEU . 30.7 p -98.26 140.47 32.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.463 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -150.1 100.42 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 42.7 tt0 -52.65 130.58 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 69' ' ' GLN . 19.7 p -64.37 -177.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.56 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 72.4 mtm180 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -143.88 119.39 6.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 156.57 62.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.16 12.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -115.34 177.43 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 62.34 34.76 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.672 HD11 HG23 ' A' ' 90' ' ' VAL . 12.6 mt -56.62 125.98 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.71 110.88 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.664 HD23 ' HA3' ' A' ' 94' ' ' GLY . 8.8 mp -95.5 117.59 30.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.75 129.56 56.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -109.39 104.2 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.4 pt-20 -97.65 -19.76 18.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.587 HG22 ' HG3' ' A' ' 19' ' ' GLU . 1.1 t -158.82 146.17 13.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 0.0 111.151 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 54.0 Cg_endo -69.79 6.1 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.06 -24.58 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.527 ' HB2' HG22 ' A' ' 64' ' ' THR . 51.0 p -144.93 150.85 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 68' ' ' LEU . 11.3 tp -126.56 118.63 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.39 140.12 36.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 76' ' ' VAL . 3.9 p -146.35 127.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -126.95 179.69 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -172.12 172.7 4.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.6 m -98.85 111.74 61.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 138.12 37.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -164.12 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.7 tp -93.58 -49.03 6.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.43 156.47 5.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.559 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -72.08 122.28 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.346 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.663 HG11 ' CE1' ' A' ' 38' ' ' TYR . 77.8 t -108.18 97.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.15 -58.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.531 ' NE2' HG21 ' A' ' 81' ' ' ILE . 7.7 p80 -151.89 159.82 43.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.663 ' CE1' HG11 ' A' ' 35' ' ' VAL . 47.1 m-85 -104.86 97.82 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -65.17 100.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD13 HG11 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -96.52 143.26 27.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.621 HG22 ' HB3' ' A' ' 53' ' ' SER . 6.8 p -145.9 110.44 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.511 ' HE1' HG13 ' A' ' 54' ' ' VAL . 25.6 p90 -111.8 148.0 34.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.765 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -174.79 165.85 2.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.765 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.621 ' HB3' HG22 ' A' ' 41' ' ' THR . 60.1 p -167.04 124.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.511 HG13 ' HE1' ' A' ' 42' ' ' TYR . 33.4 m -122.76 130.61 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -78.77 147.91 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.505 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.5 t -141.05 134.84 14.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.75 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.566 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.55 -35.86 0.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.17 -40.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -106.86 151.83 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -114.85 23.39 12.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -152.7 153.92 34.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.581 HG11 HD13 ' A' ' 40' ' ' LEU . 7.8 p -162.01 158.52 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 23' ' ' SER . 19.1 m -115.39 137.98 51.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' CG ' ' A' ' 42' ' ' TYR . 18.4 mt -104.91 95.39 8.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.76 -178.46 2.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 54.62 55.01 8.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 74' ' ' TYR . 34.2 mt -116.58 166.46 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -98.16 -174.78 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . . . -114.58 148.73 37.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 57.24 53.92 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.8 m -156.37 145.04 20.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -88.96 172.9 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 51.4 m-85 -157.21 112.18 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' CD ' HD11 ' A' ' 77' ' ' LEU . 8.1 ttm180 -69.55 93.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 26' ' ' VAL . 99.3 t -81.35 100.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.4 HD11 ' CD ' ' A' ' 75' ' ' ARG . 2.4 mp -97.1 106.95 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG22 ' HG ' ' A' ' 40' ' ' LEU . 9.9 t -107.07 139.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -136.46 141.06 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.78 122.63 31.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 86' ' ' ARG . 11.5 mm -93.63 135.98 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 72.8 m-85 -130.82 161.29 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.79 -46.13 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.13 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.31 -169.11 30.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.758 ' HB3' HD13 ' A' ' 81' ' ' ILE . 7.7 ptt180 -115.46 136.95 52.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.8 p -66.79 177.17 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.72 -178.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.62 131.63 55.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.672 HG23 HD11 ' A' ' 14' ' ' LEU . 3.6 m -102.99 124.85 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 p -87.36 155.58 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -162.16 118.38 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.9 p -95.18 118.49 32.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.664 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -126.42 96.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -54.83 132.72 46.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 p -68.53 177.03 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.885 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.552 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 31.3 mtm180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -126.75 118.84 22.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.77 59.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HG3' HG12 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.81 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -112.8 177.85 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 62.69 36.38 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 90' ' ' VAL . 11.6 mt -59.65 122.53 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.55 104.81 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.694 HD23 HD21 ' A' ' 24' ' ' LEU . 8.8 mp -87.03 113.69 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.88 122.77 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB2' HD12 ' A' ' 24' ' ' LEU . 26.7 t -99.04 115.22 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -103.09 -35.48 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.66 145.98 59.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.83 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.359 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.01 -5.54 9.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -150.14 148.54 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 16' ' ' LEU . 11.9 tp -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -81.55 138.55 35.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.782 HG21 HG11 ' A' ' 76' ' ' VAL . 4.1 p -139.59 128.49 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 p -126.52 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -166.96 168.8 13.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 m -96.22 110.65 53.36 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.552 0.691 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 137.71 35.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -173.75 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.1 pp -87.5 -43.09 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.662 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -58.71 133.27 52.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 123.65 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.806 HG22 ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -114.74 110.09 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -46.04 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.58 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.2 p80 -142.79 170.42 15.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -118.75 104.02 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -70.78 105.5 3.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD22 HD21 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -97.58 135.74 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.781 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.6 p -140.35 105.6 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -101.2 146.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -150.02 163.02 26.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.781 ' HB3' HG22 ' A' ' 41' ' ' THR . 77.7 p -155.54 111.63 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.7 m -106.86 138.7 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -83.47 147.18 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.598 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.2 t -132.94 136.96 28.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.75 111.59 2.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.88 -39.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -38.09 -45.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.508 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.3 ptp180 -105.44 158.44 16.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -115.89 36.13 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -164.49 163.48 22.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.527 ' CG1' HD13 ' A' ' 40' ' ' LEU . 6.0 p -169.13 147.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -97.7 134.14 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.545 HD21 HD22 ' A' ' 40' ' ' LEU . 9.6 mt -103.9 95.47 7.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.08 11.46 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 64.47 52.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.713 HD22 ' CE2' ' A' ' 74' ' ' TYR . 30.9 mt -120.79 174.66 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -89.45 -174.51 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 97' ' ' ALA . . . -103.27 -33.01 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -134.56 69.74 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.2 m -152.17 140.62 20.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -84.74 145.67 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.713 ' CE2' HD22 ' A' ' 68' ' ' LEU . 22.0 m-85 -135.77 112.82 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' A' ' 77' ' ' LEU . 11.1 ttt180 -67.76 97.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.782 HG11 HG21 ' A' ' 26' ' ' VAL . 93.4 t -81.99 107.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 75' ' ' ARG . 3.6 mp -101.94 111.51 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.576 HG12 ' HG3' ' A' ' 11' ' ' PRO . 20.2 t -111.94 142.89 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 49.5 m -146.87 125.61 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.515 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -74.38 129.85 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.1 mp -99.4 131.59 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.806 ' CE1' HG22 ' A' ' 35' ' ' VAL . 80.2 m-85 -123.82 169.12 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.58 -45.28 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 -52.48 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.49 40.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -87.7 143.11 27.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 99.5 p -77.14 173.35 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -48.79 177.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.02 129.91 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 14' ' ' LEU . 3.2 m -100.57 126.8 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 p -95.61 152.84 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.05 120.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.4 p -87.92 134.68 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -145.4 91.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 96' ' ' THR . 6.8 tt0 -49.6 151.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.401 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 2.4 p -86.36 173.08 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.472 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 62.3 mtm180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -119.38 121.26 30.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 159.39 53.6 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 126.01 12.79 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -116.41 178.05 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 62.49 41.34 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 90' ' ' VAL . 12.9 mt -63.44 131.24 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.63 105.86 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 24' ' ' LEU . 8.4 mp -91.27 117.18 29.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.54 132.92 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -109.14 113.49 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -107.16 -30.18 8.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.95 145.1 37.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.91 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.8 -4.31 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.458 ' C ' HD12 ' A' ' 68' ' ' LEU . 1.6 m -159.34 147.91 17.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.72 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.9 tp -126.94 127.8 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 2.5 tp-100 -81.13 142.63 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.6 HG21 HG11 ' A' ' 76' ' ' VAL . 3.5 p -148.02 129.18 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -131.38 177.9 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.51 ' CD1' ' OG ' ' A' ' 61' ' ' SER . 36.5 p90 -172.69 174.22 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -102.66 121.43 49.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.568 0.699 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.59 40.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 173.75 10.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -48.41 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.8 128.22 10.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.24 155.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.613 HG22 ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -130.86 106.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -38.18 -55.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 1.049 ' CE1' HG21 ' A' ' 81' ' ' ILE . 18.5 p-80 -157.52 156.8 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 24.7 m-85 -105.08 105.18 15.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CE2' ' OG ' ' A' ' 53' ' ' SER . 18.2 t-105 -81.14 104.08 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.759 HD21 HG13 ' A' ' 76' ' ' VAL . 1.2 tt -97.66 136.06 38.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -129.61 85.52 2.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.918 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.7 p90 -87.65 150.36 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -174.12 162.94 2.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.663 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' A' ' 39' ' ' TRP . 8.6 t -152.23 147.72 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 54' ' ' VAL . 31.5 m -142.86 126.11 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.86 146.98 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 57' ' ' PRO . 98.4 t -137.69 139.17 26.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 107.98 1.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.524 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.01 -37.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -39.29 -50.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.505 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.1 ptp180 -99.26 157.59 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.51 ' OG ' ' CD1' ' A' ' 28' ' ' TRP . 2.2 t -117.72 27.46 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -150.03 148.17 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 40' ' ' LEU . 2.1 p -154.09 163.89 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -120.52 136.38 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.918 HD22 ' CD1' ' A' ' 42' ' ' TYR . 9.1 mt -106.44 95.3 11.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.68 177.49 5.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.377 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.1 t0 57.49 53.9 7.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 24' ' ' LEU . 20.8 mt -108.99 171.57 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -102.94 -177.48 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.87 131.57 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.09 44.98 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.8 m -153.94 105.75 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -56.95 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 68' ' ' LEU . 32.7 m-85 -151.16 108.55 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' ALA . 10.7 ttm-85 -58.02 93.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.759 HG13 HD21 ' A' ' 40' ' ' LEU . 42.2 t -82.72 106.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.09 107.84 19.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.57 HG22 ' HG ' ' A' ' 40' ' ' LEU . 3.8 t -104.47 151.63 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 23.1 m -150.1 126.73 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.518 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.31 125.87 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.049 HG21 ' CE1' ' A' ' 37' ' ' HIS . 1.1 mp -98.07 136.68 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.613 ' CE1' HG22 ' A' ' 35' ' ' VAL . 72.1 m-85 -130.77 169.68 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.24 -43.64 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.94 -40.79 45.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.56 177.93 44.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -99.81 148.12 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -81.27 174.79 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -53.23 168.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.86 135.89 44.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.433 HG23 HD11 ' A' ' 14' ' ' LEU . 3.6 m -106.47 117.2 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 p -87.67 155.27 20.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.73 124.62 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.1 p -96.12 125.38 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.404 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -132.05 90.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.544 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 43.9 tt0 -47.84 127.72 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.391 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.7 p -71.22 -178.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 5.4 mtp-105 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.828 0.346 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -139.38 112.43 7.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.83 68.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.64 9.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -106.94 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 62.4 35.97 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.659 HD11 HG23 ' A' ' 90' ' ' VAL . 12.5 mt -59.86 131.8 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.64 109.93 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 24' ' ' LEU . 9.7 mp -90.3 119.35 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.14 123.9 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -100.79 113.28 26.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.79 -30.76 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.83 147.45 35.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.15 -9.68 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 m -154.34 153.58 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.7 tp -133.46 121.53 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -76.23 144.74 40.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG21 HG11 ' A' ' 76' ' ' VAL . 2.5 p -148.02 121.5 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -121.7 170.94 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CE2' ' O ' ' A' ' 61' ' ' SER . 26.2 p90 -172.66 168.33 5.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.1 m -96.53 114.65 64.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 141.95 46.31 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -173.94 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -95.19 -42.77 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.83 149.17 5.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 96.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 81' ' ' ILE . 3.9 p -97.46 112.74 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.89 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CE1' HG21 ' A' ' 81' ' ' ILE . 12.4 p-80 -136.37 174.68 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 44.9 m-85 -116.32 93.41 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.01 107.76 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.719 ' CD2' HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -95.91 156.13 16.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 40' ' ' LEU . 17.9 p -164.89 104.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 52' ' ' LYS . 20.3 p90 -100.48 166.12 11.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -160.14 169.43 10.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.689 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 17.0 mmtp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 41' ' ' THR . 83.3 p -161.25 141.79 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 40' ' ' LEU . 17.4 m -139.89 142.1 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -88.11 144.22 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.01 131.5 19.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.9 18.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.47 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -46.9 -32.72 6.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.93 -45.42 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.9 148.36 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.453 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 88.6 p -107.55 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.62 170.04 16.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.537 HG11 HD22 ' A' ' 40' ' ' LEU . 3.5 p -166.03 157.19 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.7 m -114.85 133.77 55.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.719 HD21 ' CD2' ' A' ' 40' ' ' LEU . 36.5 mt -102.98 96.57 8.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.71 -175.68 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.385 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 46.68 53.42 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 24' ' ' LEU . 12.6 mt -108.08 165.17 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -95.54 -175.19 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.08 152.93 28.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.44 46.71 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -153.69 105.75 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -57.74 163.7 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 35.6 m-85 -140.12 110.3 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -61.13 98.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 26' ' ' VAL . 93.8 t -86.05 117.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mp -110.26 112.96 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' A' ' 40' ' ' LEU . 5.8 t -114.12 140.98 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -139.09 135.15 33.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.93 119.81 24.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 86' ' ' ARG . 16.2 mm -87.71 147.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 8' ' ' ARG . 65.9 m-85 -145.28 160.77 41.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.43 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.62 17.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.99 -160.0 11.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.757 ' HB3' HD13 ' A' ' 81' ' ' ILE . 6.4 ptt180 -125.64 131.18 52.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.346 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.4 p -58.29 167.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -52.26 176.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.83 130.74 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.659 HG23 HD11 ' A' ' 14' ' ' LEU . 6.7 m -102.33 124.91 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 p -90.82 153.82 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.01 121.67 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -98.74 129.18 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -134.81 94.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 18.7 tt0 -47.39 120.8 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -64.0 -179.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.542 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.6 mtm105 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 t -117.4 123.59 29.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.708 0.766 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.522 ' HG3' HG12 ' A' ' 78' ' ' VAL . 54.4 Cg_endo -69.69 127.14 14.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.383 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -113.28 177.54 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 57.7 45.7 18.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 90' ' ' VAL . 11.7 mt -63.52 128.08 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.79 105.82 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.516 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.9 mp -92.35 103.9 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.93 129.41 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.687 ' CB ' HD12 ' A' ' 24' ' ' LEU . 3.2 p -108.61 126.99 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.51 -22.64 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -142.08 148.0 46.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 111.187 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -2.96 11.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.13 -2.07 17.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -152.33 171.42 18.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.687 HD12 ' CB ' ' A' ' 18' ' ' SER . 6.6 tp -145.7 127.84 15.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' ALA . 1.9 tt0 -93.24 137.09 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -143.96 141.22 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -139.64 -179.6 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.6 p90 -170.54 171.27 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.8 m -93.51 115.17 64.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.6 19.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.46 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.1 pp -100.3 -41.74 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.608 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -48.83 152.51 2.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 89.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG11 ' OH ' ' A' ' 38' ' ' TYR . 4.8 p -89.3 116.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.76 -68.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.3 p80 -137.87 174.98 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.502 ' OH ' HG11 ' A' ' 35' ' ' VAL . 66.4 m-85 -118.36 97.46 5.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -67.22 113.99 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 63' ' ' VAL . 1.1 tt -106.18 136.45 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.625 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.2 p -134.78 93.12 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.605 ' CD2' HD22 ' A' ' 65' ' ' LEU . 25.4 p90 -91.81 144.25 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -163.61 159.08 17.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 111.114 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.133 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.625 ' HB3' HG22 ' A' ' 41' ' ' THR . 21.7 p -164.02 141.34 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.5 131.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -71.83 150.53 44.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.5 t -142.13 130.29 11.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 54.1 Cg_endo -69.73 119.88 6.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.45 -35.25 2.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.85 -42.43 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.069 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 8.6 ptp180 -108.16 144.26 35.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -102.47 25.32 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -151.0 162.68 40.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 40' ' ' LEU . 7.8 p -163.12 155.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 m -109.38 141.81 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.605 HD22 ' CD2' ' A' ' 42' ' ' TYR . 57.5 mt -112.5 93.28 22.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.8 Cg_endo -69.71 171.65 14.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.97 55.02 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.928 HD22 ' CE2' ' A' ' 74' ' ' TYR . 30.8 mt -120.7 157.87 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.93 -177.68 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 97' ' ' ALA . . . -111.84 146.24 38.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.75 43.29 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.9 m -140.38 143.92 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.605 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -84.41 166.06 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.928 ' CE2' HD22 ' A' ' 68' ' ' LEU . 33.4 m-85 -155.16 105.35 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.67 90.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.09 107.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -102.54 106.18 16.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 11' ' ' PRO . 39.8 t -102.85 139.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.7 m -142.11 130.15 21.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.478 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -80.79 126.05 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -97.0 130.51 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 87.4 m-85 -123.53 165.11 17.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.6 -50.72 31.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.14 43.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.36 167.98 39.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -88.11 144.85 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.426 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 85.6 p -77.79 175.02 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -50.44 173.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.94 133.08 55.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.567 HG23 HD11 ' A' ' 14' ' ' LEU . 5.5 m -106.79 123.48 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.4 p -90.8 156.72 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.53 123.58 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 p -89.91 120.72 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.516 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -124.05 91.53 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -56.94 123.42 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.1 p -61.46 178.27 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.451 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -122.39 122.46 27.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.81 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 158.12 58.03 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.451 ' O ' HG21 ' A' ' 90' ' ' VAL . 54.4 Cg_endo -69.71 126.71 13.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -117.01 177.38 4.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 61.84 35.19 16.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.748 HD11 HG23 ' A' ' 90' ' ' VAL . 10.9 mt -56.41 128.77 37.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.89 106.07 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.697 HD21 ' CG2' ' A' ' 76' ' ' VAL . 10.5 mp -93.01 116.68 29.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.72 132.13 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -110.3 114.6 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.23 -32.11 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -142.42 145.34 34.46 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 9.23 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.19 -19.09 12.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -150.21 159.54 44.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 68' ' ' LEU . 9.3 tp -135.19 119.66 18.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -79.09 143.87 35.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.745 HG21 HG11 ' A' ' 76' ' ' VAL . 4.7 p -148.73 127.79 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.27 175.2 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -166.28 172.62 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.4 m -96.0 115.4 65.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 0.0 111.196 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.07 22.53 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.2 pp -101.05 -39.26 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.58 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -51.89 167.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -84.48 96.95 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.649 HG21 ' CE1' ' A' ' 38' ' ' TYR . 2.4 p -95.12 121.82 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.82 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.505 ' CD2' HG13 ' A' ' 81' ' ' ILE . 13.8 p-80 -138.67 166.22 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.649 ' CE1' HG21 ' A' ' 35' ' ' VAL . 31.3 m-85 -112.21 90.94 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -61.49 99.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.976 HD13 HG11 ' A' ' 63' ' ' VAL . 1.4 tt -99.41 133.11 44.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.749 HG22 ' OG ' ' A' ' 53' ' ' SER . 7.9 p -133.67 113.5 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.807 ' CD1' HD22 ' A' ' 65' ' ' LEU . 23.3 p90 -106.15 141.23 37.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -148.65 159.32 38.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 57.8 mmtt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.749 ' OG ' HG22 ' A' ' 41' ' ' THR . 11.9 m -164.21 124.88 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -108.12 157.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.9 p -100.21 150.2 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.3 t -136.77 134.66 19.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 54.2 Cg_endo -69.69 0.1 6.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . 74.67 -47.97 1.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 13.1 ptm180 -93.73 145.82 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.9 p -103.73 27.67 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -155.56 172.29 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.976 HG11 HD13 ' A' ' 40' ' ' LEU . 9.5 p -173.99 154.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.9 m -114.84 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.807 HD22 ' CD1' ' A' ' 42' ' ' TYR . 14.2 mt -103.51 94.87 6.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 64' ' ' THR . 53.3 Cg_endo -69.8 174.26 9.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.297 . . . . 0.0 112.275 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 57.39 54.99 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.955 HD22 ' CE2' ' A' ' 74' ' ' TYR . 13.3 mt -113.06 169.63 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -108.38 -175.19 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.87 148.06 39.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.58 48.57 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -151.96 142.78 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.3 mppt? -85.68 166.61 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.955 ' CE2' HD22 ' A' ' 68' ' ' LEU . 32.4 m-85 -151.14 111.03 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HD2' HD11 ' A' ' 77' ' ' LEU . 8.8 ttm180 -71.74 94.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 40' ' ' LEU . 88.2 t -78.38 108.81 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.566 HD11 ' HD2' ' A' ' 75' ' ' ARG . 2.2 mp -106.89 105.84 16.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.749 HG22 ' HG ' ' A' ' 40' ' ' LEU . 3.2 t -107.51 143.61 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -143.28 125.3 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.66 120.62 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.682 HD13 ' CB ' ' A' ' 86' ' ' ARG . 7.1 mm -89.14 145.42 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -139.61 158.85 43.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.26 -51.67 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.57 -52.27 22.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.47 -169.33 32.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.682 ' CB ' HD13 ' A' ' 81' ' ' ILE . 5.3 ptt-85 -115.82 134.89 54.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -63.92 175.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -52.58 -176.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 125.78 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.748 HG23 HD11 ' A' ' 14' ' ' LEU . 5.2 m -95.62 124.46 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 p -90.17 154.81 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.6 136.0 11.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.5 p -106.51 114.78 29.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.36 90.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.67 142.64 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 p -85.47 169.51 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.541 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 24.6 mtm105 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -120.33 128.95 25.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 155.35 66.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.4 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m -111.86 177.79 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 63.37 37.66 10.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' A' ' 92' ' ' ALA . 11.2 mt -57.1 129.79 43.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 109.28 8.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.0 mp -98.91 117.24 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.37 138.74 50.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -115.33 109.4 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HG3' HG22 ' A' ' 20' ' ' THR . 8.4 pt-20 -111.85 -13.87 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.503 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -148.98 137.04 11.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 111.164 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.73 2.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.435 ' C ' ' HG ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -116.63 -0.9 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.435 ' HG ' ' C ' ' A' ' 22' ' ' ASP . 3.1 m -162.37 154.88 19.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 68' ' ' LEU . 10.1 tp -132.13 130.17 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -84.56 134.74 34.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.014 HG21 HG11 ' A' ' 76' ' ' VAL . 5.9 p -140.81 128.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -132.95 -179.29 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.4 p90 -172.58 172.41 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -94.47 113.95 62.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.29 32.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -168.66 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.1 pt? -98.55 -31.12 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.09 144.99 43.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -64.0 109.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.53 120.34 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 81' ' ' ILE . 38.2 mt -50.75 -65.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -145.44 -178.8 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.526 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 74.7 m-85 -120.56 91.67 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -60.29 101.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.611 HD22 HD21 ' A' ' 65' ' ' LEU . 1.2 tt -94.19 140.1 30.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.649 HG22 ' OG ' ' A' ' 53' ' ' SER . 26.3 p -143.01 105.83 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.661 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.6 p90 -103.26 149.64 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -156.83 162.77 26.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.669 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.649 ' OG ' HG22 ' A' ' 41' ' ' THR . 6.4 m -160.94 116.35 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.62 133.29 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.9 t -80.1 143.29 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.605 HG13 ' HD2' ' A' ' 57' ' ' PRO . 89.8 t -132.45 137.2 29.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.605 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.83 111.01 2.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.15 -35.7 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.69 -45.26 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.512 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.4 ptp180 -105.05 150.01 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -110.3 30.78 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -154.75 153.28 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.621 HG22 ' H ' ' A' ' 64' ' ' THR . 7.9 p -159.99 170.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.621 ' H ' HG22 ' A' ' 63' ' ' VAL . 3.9 m -127.89 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.661 HD22 ' CD1' ' A' ' 42' ' ' TYR . 5.1 mt -109.47 95.78 20.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.81 179.85 3.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.8 54.43 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.561 HD22 ' CE2' ' A' ' 74' ' ' TYR . 38.4 mt -113.89 163.49 15.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 179.81 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.4 146.69 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 58.63 46.88 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.7 m -147.6 143.32 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.563 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 3.6 mppt? -86.54 172.92 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 67.1 m-85 -158.57 116.21 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' NE ' HD11 ' A' ' 77' ' ' LEU . 8.2 ttt180 -72.4 92.3 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.014 HG11 HG21 ' A' ' 26' ' ' VAL . 63.2 t -79.41 92.69 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.446 HD11 ' NE ' ' A' ' 75' ' ' ARG . 3.6 mp -89.51 113.0 24.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.488 HG12 ' HG3' ' A' ' 11' ' ' PRO . 39.3 t -106.34 151.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 p -151.17 130.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.49 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -86.21 121.79 29.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.53 119.12 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 70.0 m-85 -111.87 167.28 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.42 -44.19 62.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.36 -48.39 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.77 178.14 47.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -98.56 138.82 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -73.78 177.24 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.48 -177.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.37 128.93 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.489 HG23 HD11 ' A' ' 14' ' ' LEU . 3.5 m -102.28 124.7 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.2 p -85.07 162.32 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.724 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -166.2 117.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.5 p -93.35 116.43 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.504 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -124.64 95.1 0.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.69 128.53 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.8 p -72.22 176.8 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.606 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.0 ptt85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.8 123.95 39.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.24 53.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -131.96 177.21 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 61.19 44.37 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 92' ' ' ALA . 13.0 mt -64.6 130.32 43.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.76 105.33 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.53 HD23 ' HA3' ' A' ' 94' ' ' GLY . 8.5 mp -94.61 112.16 23.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.92 127.43 55.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.0 t -103.81 110.23 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' CG ' HG22 ' A' ' 20' ' ' THR . 13.2 pt-20 -105.39 -23.89 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.501 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -145.98 146.44 28.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.571 0.701 . . . . 0.0 111.142 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.16 3.78 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.24 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -119.76 -6.1 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.1 145.67 28.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 12.3 tp -131.99 116.47 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.92 140.17 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 p -150.0 121.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -124.64 176.64 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -166.82 177.96 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 83.0 m -100.08 117.38 63.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.528 0.68 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 136.06 31.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.55 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.1 tp -93.47 -34.55 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.52 130.64 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -48.57 131.4 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.455 HG11 ' OH ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -123.76 125.68 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.31 -62.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -150.87 -179.93 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' OH ' HG11 ' A' ' 35' ' ' VAL . 39.8 m-85 -121.8 93.87 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.85 97.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 63' ' ' VAL . 1.1 tt -91.11 135.3 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 53' ' ' SER . 18.7 p -134.43 102.74 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.547 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.0 p90 -104.74 142.47 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.762 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -163.58 165.86 13.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.762 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.685 ' HB3' HG22 ' A' ' 41' ' ' THR . 81.1 p -167.55 122.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.79 144.75 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -87.45 150.84 23.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.2 t -146.16 135.05 11.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.7 Cg_endo -69.74 111.95 2.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.84 -36.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.15 -46.45 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -97.27 157.1 16.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -118.56 24.56 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -153.47 151.03 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 40' ' ' LEU . 1.7 p -157.79 161.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.6 m -122.15 139.93 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD22 ' CD1' ' A' ' 42' ' ' TYR . 16.8 mt -102.31 97.34 8.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' C ' ' CG ' ' A' ' 67' ' ' ASP . 54.1 Cg_endo -69.77 -179.47 2.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.47 ' CG ' ' C ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 49.34 53.01 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.619 HD22 ' CE2' ' A' ' 74' ' ' TYR . 13.0 mt -107.96 176.34 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -110.31 -174.5 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.82 157.64 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 47.8 52.12 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 m -152.89 144.88 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.442 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.4 mptt -91.5 160.77 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.619 ' CE2' HD22 ' A' ' 68' ' ' LEU . 36.7 m-85 -146.35 105.73 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.801 ' HD3' HD11 ' A' ' 77' ' ' LEU . 4.5 ttt85 -67.98 91.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG13 HD21 ' A' ' 40' ' ' LEU . 53.0 t -78.39 114.54 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.801 HD11 ' HD3' ' A' ' 75' ' ' ARG . 2.5 mp -109.35 106.94 16.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.78 148.62 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -149.69 125.99 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -83.33 123.14 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -92.12 131.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CD2' ' HB3' ' A' ' 8' ' ' ARG . 86.5 m-85 -126.27 154.91 42.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.32 -43.38 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.5 -52.44 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.5 164.06 33.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -86.25 134.45 33.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.2 p -69.98 173.75 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.95 169.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.49 139.62 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.66 118.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 p -84.3 156.95 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -164.74 120.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 p -93.0 119.32 32.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.53 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -129.24 91.83 0.32 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -52.5 134.87 34.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 p -74.35 -176.82 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.443 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 27.0 mtm105 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -101.47 114.31 65.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.718 0.771 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 159.0 55.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.46 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.81 126.69 13.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.83 177.25 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.12 36.32 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.648 HD11 HG23 ' A' ' 90' ' ' VAL . 12.0 mt -61.24 130.19 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.27 120.9 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 mp -102.27 117.87 35.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 124.51 52.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.744 ' HA ' HD12 ' A' ' 24' ' ' LEU . 20.1 t -97.5 122.24 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.559 ' CG ' HG22 ' A' ' 20' ' ' THR . 5.6 pt-20 -115.46 -26.42 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.559 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -149.45 146.34 20.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' LEU . 53.5 Cg_endo -69.8 4.01 2.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.5 -22.54 12.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.521 ' HB2' HG22 ' A' ' 64' ' ' THR . 71.3 p -151.51 156.87 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 18' ' ' SER . 5.7 tp -131.1 134.89 47.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -85.88 142.43 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 63' ' ' VAL . 6.2 p -143.43 135.49 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -133.8 170.05 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.427 ' HB3' HD23 ' A' ' 14' ' ' LEU . 28.3 p90 -168.68 162.42 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.3 m -88.82 117.1 67.95 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.586 0.708 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 136.78 34.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -168.78 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tp -99.68 -39.91 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.96 155.4 4.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 99.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 38' ' ' TYR . 1.2 p -99.11 133.02 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.34 -56.44 4.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.949 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.555 ' CE1' HG21 ' A' ' 81' ' ' ILE . 14.9 p-80 -146.73 176.03 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 35' ' ' VAL . 34.4 m-85 -120.79 94.16 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -62.6 94.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.663 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.7 tt -89.48 140.08 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.495 HG22 ' OG ' ' A' ' 53' ' ' SER . 1.7 p -139.1 106.66 5.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.841 ' CD2' HD22 ' A' ' 65' ' ' LEU . 30.0 p90 -105.99 147.54 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.688 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -171.28 163.27 5.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.688 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.495 ' OG ' HG22 ' A' ' 41' ' ' THR . 2.4 m -166.22 123.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.23 142.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 t -85.55 149.48 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.513 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.0 t -130.08 137.24 30.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.513 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 53.2 Cg_endo -69.83 -0.67 7.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.38 -48.83 1.87 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.81 -41.72 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HD3' ' CG ' ' A' ' 57' ' ' PRO . 13.4 ptt180 -94.42 135.17 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -96.15 32.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -159.68 159.97 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.663 ' CG1' HD13 ' A' ' 40' ' ' LEU . 8.3 p -166.18 147.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 23' ' ' SER . 2.3 m -100.01 136.55 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.841 HD22 ' CD2' ' A' ' 42' ' ' TYR . 7.6 mt -104.24 94.65 7.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.77 175.78 7.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.372 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.21 55.0 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.549 HD22 ' CE2' ' A' ' 74' ' ' TYR . 29.2 mt -115.97 160.48 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.8 -176.96 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.16 149.97 29.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 55.5 48.4 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -150.99 143.09 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.1 mppt? -86.74 170.19 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.549 ' CE2' HD22 ' A' ' 68' ' ' LEU . 59.9 m-85 -155.96 106.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.02 103.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 26' ' ' VAL . 16.6 t -89.83 113.25 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mp -108.32 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG22 ' HG ' ' A' ' 40' ' ' LEU . 12.8 t -111.83 158.94 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 9.6 m -158.06 128.18 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.537 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -79.46 125.34 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.647 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.29 120.33 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.417 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 61.2 m-85 -113.33 162.33 16.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.93 -48.56 11.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.96 -57.53 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.53 168.95 41.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -88.3 142.58 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.6 p -75.94 177.03 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.72 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.08 125.04 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.648 HG23 HD11 ' A' ' 14' ' ' LEU . 3.3 m -99.41 123.61 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -95.68 153.47 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.61 144.91 18.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.3 p -107.94 136.32 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.57 92.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -49.36 141.52 8.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.5 p -84.15 -178.6 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.511 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 45.9 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -114.72 120.01 38.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.735 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 160.16 50.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.496 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.76 127.02 14.0 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -117.86 177.53 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 62.21 34.99 15.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 90' ' ' VAL . 13.5 mt -61.51 130.35 45.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.31 117.01 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 24' ' ' LEU . 9.1 mp -98.85 117.7 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.04 131.3 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -104.38 122.22 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.1 -3.73 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 22' ' ' ASP . 3.4 t -175.56 145.25 0.81 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.537 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 53.6 Cg_endo -69.76 18.56 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.8 p30 -128.17 -11.18 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -151.17 153.81 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 16' ' ' LEU . 11.2 tp -137.06 111.5 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.1 tp-100 -66.96 145.23 55.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG21 HG11 ' A' ' 76' ' ' VAL . 4.1 p -150.19 131.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.4 t -134.35 -178.76 5.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -175.19 -177.91 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -110.14 118.17 50.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 138.69 38.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.624 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.0 pt? -98.03 -29.97 12.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.81 147.85 50.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.518 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.36 106.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.35 131.54 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.55 -62.62 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.45 ' CE1' HG21 ' A' ' 81' ' ' ILE . 17.9 p-80 -143.51 -175.5 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -127.31 94.34 3.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.72 100.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.6 tt -93.63 140.83 29.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.754 HG22 ' OG ' ' A' ' 53' ' ' SER . 9.6 p -145.78 105.18 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.488 ' CZ ' ' CB ' ' A' ' 52' ' ' LYS . 51.8 p90 -98.85 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.651 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -169.54 162.34 7.21 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.651 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 64.7 mmtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.754 ' OG ' HG22 ' A' ' 41' ' ' THR . 14.4 m -161.25 136.84 7.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.96 161.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.8 p -102.35 154.76 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.8 t -142.63 131.64 11.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' GLY . 53.2 Cg_endo -69.78 112.97 3.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.23 -36.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.51 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -103.95 157.92 16.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -115.3 16.41 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -142.03 159.61 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 ' H ' ' A' ' 64' ' ' THR . 1.5 p -161.9 -179.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.736 ' H ' HG22 ' A' ' 63' ' ' VAL . 2.3 m -134.29 135.82 43.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 42' ' ' TYR . 17.3 mt -103.24 95.85 7.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.76 177.51 5.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 54.6 54.3 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.9 mt -112.83 160.01 18.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -85.65 -174.85 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . . . -115.72 150.45 36.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.87 40.0 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -153.22 112.93 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -64.09 177.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 29.8 m-85 -148.91 111.18 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' ALA . 16.2 ttm180 -57.45 100.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.522 HG11 HG21 ' A' ' 26' ' ' VAL . 40.9 t -86.34 116.27 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -112.79 107.06 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.502 HG22 ' HG ' ' A' ' 40' ' ' LEU . 11.8 t -105.3 147.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.44 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -146.73 124.47 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.507 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.8 127.52 32.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.32 131.71 44.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 8' ' ' ARG . 78.1 m-85 -122.55 163.76 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.46 -44.79 25.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.97 -50.13 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.36 -176.4 41.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -105.39 141.55 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.9 p -74.78 173.18 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.95 178.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.69 134.68 54.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.697 HG23 HD11 ' A' ' 14' ' ' LEU . 3.8 m -105.31 119.78 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -156.75 127.78 6.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.7 p -99.0 128.95 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -140.93 95.99 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.448 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 48.2 tt0 -50.46 136.61 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -178.77 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.809 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 64.3 mtm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -131.04 120.8 18.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 127.22 14.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.704 2.27 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.51 175.42 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 62.49 42.38 8.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 92' ' ' ALA . 12.3 mt -63.55 129.8 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 105.93 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.063 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.63 HD23 HD21 ' A' ' 24' ' ' LEU . 9.2 mp -91.07 116.03 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.89 125.76 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 t -98.99 123.78 43.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 20' ' ' THR . 11.5 pt-20 -116.2 -27.58 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.576 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -145.91 147.22 31.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.116 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 4.62 2.09 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -120.68 -3.36 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -155.23 150.74 27.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.63 HD21 HD23 ' A' ' 16' ' ' LEU . 6.8 tp -133.96 121.59 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.01 139.61 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.408 HG21 HG11 ' A' ' 76' ' ' VAL . 2.8 p -142.68 125.26 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 p -125.42 169.11 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CH2' HD12 ' A' ' 40' ' ' LEU . 30.7 p90 -166.23 172.08 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.8 m -95.46 115.35 65.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.46 21.3 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -173.09 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -97.55 -43.73 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.44 138.23 18.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 102.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 81' ' ' ILE . 3.4 p -106.99 112.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.6 -68.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -139.2 162.64 34.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.519 ' OH ' HG11 ' A' ' 35' ' ' VAL . 96.9 m-85 -105.69 91.81 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -58.32 106.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.782 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.1 tt -100.04 132.7 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 53' ' ' SER . 2.0 p -131.72 91.91 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.912 ' CD2' HD22 ' A' ' 65' ' ' LEU . 26.7 p90 -90.93 140.8 29.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -168.47 168.88 5.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 25.3 mmtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.771 0.32 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.619 ' HB3' HG22 ' A' ' 41' ' ' THR . 73.3 p -156.71 152.62 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.8 148.63 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.2 p -90.65 141.43 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -135.5 125.5 16.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' GLY . 54.1 Cg_endo -69.74 119.41 6.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.401 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.57 -38.71 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.27 -44.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -104.71 156.54 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -117.56 35.92 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -165.91 166.56 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.535 ' CG1' HD13 ' A' ' 40' ' ' LEU . 3.7 p -170.56 152.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -103.06 135.53 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.912 HD22 ' CD2' ' A' ' 42' ' ' TYR . 12.0 mt -103.62 94.72 6.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.2 Cg_endo -69.77 -179.38 2.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.74 55.02 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.652 HD22 ' CE2' ' A' ' 74' ' ' TYR . 19.4 mt -115.06 162.86 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -100.09 -175.8 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.52 146.68 40.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 59.35 50.99 7.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.0 m -157.29 131.18 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 2.4 mppt? -79.84 154.05 28.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.652 ' CE2' HD22 ' A' ' 68' ' ' LEU . 20.0 m-85 -134.91 98.18 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' ALA . 2.6 ttm180 -53.68 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG2' HD21 ' A' ' 16' ' ' LEU . 73.4 t -80.5 118.75 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.16 107.84 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.782 HG22 ' HG ' ' A' ' 40' ' ' LEU . 46.9 t -107.52 146.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m -144.55 120.45 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.1 121.08 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 86' ' ' ARG . 18.8 mm -88.02 143.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 58.7 m-85 -136.17 159.73 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.12 -48.74 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.83 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.58 -164.42 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.584 ' HB3' HD13 ' A' ' 81' ' ' ILE . 2.8 ptt180 -119.38 137.1 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.3 p -64.33 171.32 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -50.39 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.58 119.78 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 m -95.72 129.06 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.8 p -90.22 161.85 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -163.25 125.85 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 p -98.47 123.77 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -135.25 98.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.52 135.31 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 p -77.35 -178.76 5.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.853 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -72.19 -59.56 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -87.46 132.71 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.17 120.16 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -130.5 151.58 50.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -84.62 90.28 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.81 -50.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.554 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 81.4 mtm180 -109.93 115.21 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -118.45 122.71 29.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 158.45 56.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.73 126.89 13.86 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -119.38 178.05 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 m120 64.28 34.6 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 90' ' ' VAL . 11.6 mt -57.57 131.41 50.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.82 109.76 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.79 112.02 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.13 126.44 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' HD12 ' A' ' 24' ' ' LEU . 8.6 t -102.54 114.79 29.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.07 -20.34 13.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.5 146.92 20.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.131 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.19 2.93 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.293 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.5 -10.28 11.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -149.04 155.44 40.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 18' ' ' SER . 5.9 tp -137.04 119.14 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.4 142.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.466 HG21 HG11 ' A' ' 76' ' ' VAL . 2.5 p -150.39 129.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 t -132.85 -177.1 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 p90 -174.03 167.77 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 53.7 m -94.25 108.73 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.6 Cg_endo -69.79 142.88 48.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -178.05 2.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.8 pt? -86.79 -29.66 22.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 156.57 52.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 34' ' ' ARG . 1.8 tmm_? -72.2 121.72 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.785 HG11 ' CE1' ' A' ' 38' ' ' TYR . 44.8 t -110.13 124.98 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.17 -61.94 2.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.799 ' CE1' HG21 ' A' ' 81' ' ' ILE . 16.7 p-80 -148.55 170.35 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.785 ' CE1' HG11 ' A' ' 35' ' ' VAL . 18.2 m-85 -115.87 102.96 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -74.14 100.27 3.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD21 HG13 ' A' ' 76' ' ' VAL . 1.4 tt -94.31 135.01 36.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 p -134.98 89.35 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.477 ' CD1' HD22 ' A' ' 65' ' ' LEU . 34.0 p90 -92.57 155.6 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -172.7 168.57 2.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo -69.76 97.61 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -35.79 -44.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 p -41.71 -48.8 4.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.74 55.67 1.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -121.83 -41.39 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.36 -179.82 32.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 174.58 9.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.288 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -101.95 138.23 39.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -106.95 -177.66 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.0 p -169.84 137.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG21 ' CD2' ' A' ' 65' ' ' LEU . 22.3 m -134.94 133.47 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -79.12 153.09 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.669 HG13 ' HD2' ' A' ' 57' ' ' PRO . 93.3 t -148.08 138.83 13.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.669 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.9 Cg_endo -69.71 109.01 2.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.92 -29.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -45.88 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -102.39 151.57 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 20.3 p -109.8 35.93 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -159.66 162.07 35.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 40' ' ' LEU . 7.2 p -169.41 146.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -105.56 134.18 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 42' ' ' TYR . 13.3 mt -104.05 95.17 7.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.8 179.82 3.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.305 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.24 50.52 13.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 24' ' ' LEU . 23.9 mt -108.98 163.75 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -94.77 -175.48 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.569 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -109.26 158.1 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 40.91 51.26 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -158.35 116.22 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -70.37 176.55 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 32.2 m-85 -149.46 125.46 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -73.25 92.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.648 HG13 HD21 ' A' ' 40' ' ' LEU . 80.6 t -81.36 114.87 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp -111.84 106.87 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -101.24 154.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.18 128.78 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.491 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -83.14 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.799 HG21 ' CE1' ' A' ' 37' ' ' HIS . 1.0 OUTLIER -97.14 128.25 48.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 79.4 m-85 -119.65 171.15 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.08 -44.95 75.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.79 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.57 178.38 44.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -100.52 142.9 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.5 p -76.49 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -52.12 -179.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.32 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.545 HG23 HD11 ' A' ' 14' ' ' LEU . 3.3 m -107.76 117.86 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -88.94 153.85 20.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.2 115.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.0 p -90.97 130.14 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.27 108.42 0.67 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -55.36 132.57 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 179.76 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -85.71 156.52 20.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.6 p -85.74 148.09 47.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.569 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 54.2 Cg_endo -69.75 130.81 20.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.1 t -157.85 120.36 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.48 161.5 34.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 126.74 13.66 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.1 t -145.65 145.18 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.5 p -99.29 41.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.459 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -60.82 -55.28 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -112.01 107.03 15.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.13 157.36 8.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -151.79 151.32 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -96.7 -51.27 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.44 143.47 5.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 53.4 mtm180 -145.26 137.34 25.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.6 t -126.6 120.92 23.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.902 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 159.02 55.0 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.398 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.68 ' O ' HG21 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.76 121.62 8.31 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -114.88 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD11 HG23 ' A' ' 90' ' ' VAL . 11.7 mt -66.98 120.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.32 100.45 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.503 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.3 mp -79.55 114.64 18.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.95 121.68 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.5 t -96.2 118.0 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -108.39 -32.26 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.34 146.53 45.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.34 0.27 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.28 146.44 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.7 tp -126.28 126.6 44.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.69 141.34 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 63' ' ' VAL . 1.3 p -138.35 127.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -128.08 137.65 52.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CE2' ' O ' ' A' ' 61' ' ' SER . 47.0 p90 -134.34 172.59 12.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.5 m -102.73 112.02 65.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.55 40.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -171.27 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 32' ' ' LEU . 1.1 tm? -89.4 -49.82 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.91 164.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.468 HH12 ' HB2' ' A' ' 83' ' ' ALA . 5.8 tmm_? -83.22 114.58 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG22 ' CE1' ' A' ' 82' ' ' TYR . 61.7 t -107.76 124.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' NH1' ' A' ' 34' ' ' ARG . 18.6 mt -62.77 -65.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.577 ' CE1' HG12 ' A' ' 81' ' ' ILE . 8.4 p80 -141.33 167.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -113.5 100.75 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -73.61 101.31 3.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.791 HD21 HG13 ' A' ' 76' ' ' VAL . 1.3 tt -96.15 135.22 38.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' HB3' ' A' ' 53' ' ' SER . 5.6 p -135.16 104.88 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.956 ' CD1' HD22 ' A' ' 65' ' ' LEU . 50.5 p90 -98.15 142.84 29.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.33 152.79 31.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' ALA . 53.7 Cg_endo -69.78 91.24 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -34.11 -52.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' ALA . 3.3 m -35.77 -48.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.04 59.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.7 mt -132.53 -40.42 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.43 169.74 19.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -177.6 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.17 121.32 44.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 69.2 mmtt -97.65 163.22 12.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.605 ' HB3' HG22 ' A' ' 41' ' ' THR . 97.4 p -144.08 133.16 22.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.441 HG13 ' HE1' ' A' ' 42' ' ' TYR . 28.8 m -125.04 133.58 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -79.7 144.47 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 57' ' ' PRO . 79.5 t -138.81 136.46 18.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 111.088 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.1 Cg_endo -69.81 119.79 6.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.627 2.218 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -42.31 -37.49 2.46 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.29 -44.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.503 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.8 ptp180 -107.15 160.7 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.439 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 51.8 p -123.96 31.51 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.3 m80 -151.09 148.68 28.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.573 ' CG1' HD13 ' A' ' 40' ' ' LEU . 5.2 p -163.02 152.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 m -105.24 144.73 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.956 HD22 ' CD1' ' A' ' 42' ' ' TYR . 9.3 mt -109.23 94.89 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.78 178.63 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 58.11 53.84 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 20.9 mt -117.82 168.26 10.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -105.59 -178.41 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.75 159.39 15.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 44.43 47.84 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -155.01 112.0 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -69.17 175.55 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 38.2 m-85 -152.58 123.82 7.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.52 96.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.791 HG13 HD21 ' A' ' 40' ' ' LEU . 92.8 t -85.38 116.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.22 109.22 20.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.618 HG22 ' HG ' ' A' ' 40' ' ' LEU . 9.8 t -108.6 137.19 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 41.9 m -138.66 128.24 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.536 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.5 131.53 37.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.1 mp -99.27 134.17 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.7 ' CE1' HG22 ' A' ' 35' ' ' VAL . 95.9 m-85 -125.87 162.17 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.468 ' HB2' HH12 ' A' ' 34' ' ' ARG . . . -47.11 -45.09 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.25 -54.59 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' CD ' ' A' ' 8' ' ' ARG . . . -172.76 165.0 37.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -83.79 145.56 28.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -79.97 174.48 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.22 175.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.66 128.93 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.68 HG21 ' O ' ' A' ' 11' ' ' PRO . 8.4 m -99.85 127.22 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 p -87.89 159.62 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.95 117.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 p -95.79 124.23 39.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.503 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -132.58 107.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -58.81 128.32 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -67.63 177.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.44 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -80.76 156.39 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 69.1 m -109.31 151.61 42.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -2.76 10.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m -77.71 145.65 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.95 -173.52 18.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.07 10.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.295 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.6 m -114.66 124.85 52.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 t 58.18 41.87 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.541 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -78.74 142.11 37.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -113.82 150.62 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 92.27 -108.19 3.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.9 p -38.08 123.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -90.42 145.55 24.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.68 -69.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.562 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 46.6 mtm180 -91.95 138.62 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 t -129.47 119.69 19.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 158.14 58.03 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.2 Cg_endo -69.82 123.91 10.55 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -114.79 178.05 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 63.46 37.56 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 90' ' ' VAL . 13.4 mt -61.74 126.48 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.65 109.04 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.604 HD23 HD21 ' A' ' 24' ' ' LEU . 8.4 mp -94.1 115.19 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.85 128.33 56.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 12.4 t -102.78 118.09 36.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.486 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.2 pt-20 -114.45 -20.54 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.486 HG22 ' CG ' ' A' ' 19' ' ' GLU . 1.4 t -155.86 145.41 15.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.551 0.691 . . . . 0.0 111.184 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.545 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.72 5.77 1.56 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -110.33 -16.27 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.452 ' HB2' HG22 ' A' ' 64' ' ' THR . 99.4 p -153.87 157.93 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD21 HD23 ' A' ' 16' ' ' LEU . 5.9 tp -134.3 119.72 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.3 tp-100 -72.09 141.65 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.634 HG21 HG11 ' A' ' 76' ' ' VAL . 7.4 p -148.7 128.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -133.23 172.09 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CH2' HD12 ' A' ' 40' ' ' LEU . 29.9 p90 -164.42 178.32 7.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 m -104.28 115.58 62.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 140.5 42.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -164.36 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.4 pt? -104.36 -28.52 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.3 145.49 40.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 115.54 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.697 HG22 ' CE1' ' A' ' 82' ' ' TYR . 88.9 t -109.68 120.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 mt -62.99 -61.53 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.617 ' CE1' HG21 ' A' ' 81' ' ' ILE . 13.0 p-80 -146.67 169.44 19.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 51.9 m-85 -115.21 99.77 7.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -69.01 101.27 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.601 HD22 HD21 ' A' ' 65' ' ' LEU . 1.3 tt -98.53 136.42 38.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 53' ' ' SER . 2.9 p -139.05 105.68 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.691 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.1 p90 -98.78 151.3 20.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.867 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -150.36 169.11 9.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.867 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.317 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.22 34.1 21.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.1 t -153.37 141.57 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.0 52.21 3.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 49' ' ' GLY . 4.3 pp -118.85 -41.61 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.696 ' N ' HD12 ' A' ' 48' ' ' LEU . . . -123.06 174.35 16.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 172.56 12.45 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 4.3 pt-20 -116.98 126.74 53.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 18.8 mmtp -79.19 166.9 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.431 ' HB3' HG22 ' A' ' 41' ' ' THR . 78.8 p -145.65 147.75 32.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.454 HG13 ' HE1' ' A' ' 42' ' ' TYR . 24.8 m -143.2 147.22 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -93.11 148.04 22.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 57' ' ' PRO . 88.8 t -139.4 138.62 20.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.2 Cg_endo -69.78 108.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.632 2.221 . . . . 0.0 112.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -36.71 -30.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -46.19 -47.56 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 111.068 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.506 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.1 ptp180 -100.34 165.95 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 p -125.04 25.87 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -150.01 149.87 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.623 HG22 ' H ' ' A' ' 64' ' ' THR . 1.9 p -158.8 173.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.623 ' H ' HG22 ' A' ' 63' ' ' VAL . 3.1 m -129.24 135.91 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.691 HD22 ' CD1' ' A' ' 42' ' ' TYR . 10.4 mt -104.13 95.24 7.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.71 177.31 5.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.258 . . . . 0.0 112.337 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.1 t0 61.35 54.83 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 15.7 mt -114.0 176.71 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -111.73 -174.95 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 21' ' ' PRO . . . -115.23 132.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . 72.24 45.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.5 m -158.52 106.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -57.85 178.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 51.8 m-85 -154.48 120.05 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.71 ' HD3' HD11 ' A' ' 77' ' ' LEU . 12.3 ttt180 -69.95 99.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.634 HG11 HG21 ' A' ' 26' ' ' VAL . 89.6 t -88.16 113.57 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.71 HD11 ' HD3' ' A' ' 75' ' ' ARG . 4.3 mp -104.54 117.05 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.615 HG12 ' HG3' ' A' ' 11' ' ' PRO . 7.7 t -116.52 133.97 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 51.0 m -136.85 124.22 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -76.12 127.21 32.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.617 HG21 ' CE1' ' A' ' 37' ' ' HIS . 1.0 OUTLIER -92.91 149.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.697 ' CE1' HG22 ' A' ' 35' ' ' VAL . 85.5 m-85 -142.92 161.23 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.38 -48.97 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.0 -55.28 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.1 38.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.2 ptt85 -85.86 145.09 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.1 p -76.77 175.4 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.15 176.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.54 131.6 56.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.545 HG23 HD11 ' A' ' 14' ' ' LEU . 3.7 m -104.1 120.74 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -89.04 154.33 20.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -160.96 116.76 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.2 p -90.99 125.56 35.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -130.72 107.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.06 126.15 24.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -71.95 -179.83 2.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -80.49 136.7 36.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 p -67.34 150.43 97.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -7.15 20.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.392 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.8 t -125.97 62.85 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.17 142.45 9.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 100.97 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.4 t -137.8 144.73 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.7 m -118.18 162.31 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -104.7 42.49 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -136.6 114.47 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.24 -96.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -90.9 43.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -40.73 145.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.87 -63.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 23.9 mtm180 -45.5 130.21 8.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -117.33 116.04 37.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.76 55.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.616 2.211 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.524 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.78 124.83 11.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -117.99 178.14 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 62.67 38.36 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD11 HG23 ' A' ' 90' ' ' VAL . 11.2 mt -63.43 121.57 14.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.3 103.72 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 HD23 HD21 ' A' ' 24' ' ' LEU . 8.5 mp -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.86 128.31 56.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.9 t -102.64 114.97 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.578 ' CG ' HG22 ' A' ' 20' ' ' THR . 4.9 pt-20 -108.42 -30.51 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.578 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -141.71 144.47 33.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.37 2.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.296 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.18 -4.41 12.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' THR . 4.9 m -157.76 153.83 27.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD21 HD23 ' A' ' 16' ' ' LEU . 7.4 tp -133.01 120.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -81.9 139.41 34.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.1 p -143.22 126.61 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -123.58 169.94 10.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.73 171.29 15.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 m -96.28 105.66 23.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.62 30.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.89 3.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -85.32 -46.0 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.84 156.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -73.08 111.06 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' CE1' ' A' ' 38' ' ' TYR . 53.0 t -106.64 105.46 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -48.7 -66.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.58 ' CE1' HG12 ' A' ' 81' ' ' ILE . 7.7 p80 -140.52 161.56 37.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.66 ' CE1' HG11 ' A' ' 35' ' ' VAL . 62.0 m-85 -110.02 95.75 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -61.64 99.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.605 HD13 HG11 ' A' ' 63' ' ' VAL . 1.4 tt -94.18 146.13 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.594 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.8 p -152.25 105.14 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.566 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.5 p90 -95.63 156.47 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.793 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -156.21 166.88 15.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.577 0.703 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.793 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.77 3.58 2.7 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 44' ' ' PRO . . . 67.08 41.13 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -169.62 140.22 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.83 62.19 4.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mt -124.9 -45.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.59 -179.9 22.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 169.37 19.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -120.13 139.56 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 40.6 mmtt -100.48 178.23 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.594 ' HB3' HG22 ' A' ' 41' ' ' THR . 84.5 p -163.46 127.68 2.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.3 m -126.94 140.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.4 t -85.33 144.82 27.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.555 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.7 t -132.38 135.79 26.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.555 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.84 110.26 2.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.36 -33.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -42.19 -48.94 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -103.33 152.8 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -111.13 33.64 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -162.68 153.24 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.605 HG11 HD13 ' A' ' 40' ' ' LEU . 7.6 p -159.05 151.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.8 m -100.61 137.91 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 42' ' ' TYR . 22.8 mt -107.4 96.29 15.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.86 179.93 3.4 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.616 2.211 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 57.51 51.79 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.603 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 13.0 mt -112.52 163.21 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -98.27 -179.09 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.48 143.52 38.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 61.1 42.39 12.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 88.1 m -152.03 105.21 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CD ' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -56.83 173.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.603 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 46.2 m-85 -151.96 114.45 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -70.18 104.91 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 HD21 ' A' ' 40' ' ' LEU . 88.9 t -87.94 117.36 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mp -106.22 114.18 28.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.5 t -114.17 151.72 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.508 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 45.1 m -155.4 124.5 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.521 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -75.18 128.41 35.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.592 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -99.05 125.2 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CE1' HG22 ' A' ' 35' ' ' VAL . 61.0 m-85 -118.87 165.3 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.45 -48.21 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -51.79 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.58 169.21 41.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -88.79 143.58 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.8 p -75.02 174.04 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -52.94 170.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.23 123.94 49.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 11' ' ' PRO . 15.1 m -97.59 127.68 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 p -94.03 157.03 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.18 114.44 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -90.85 136.55 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.432 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -141.64 107.08 0.49 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.52 133.61 55.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -76.58 -178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.85 143.48 32.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 p -88.74 148.51 41.8 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -41.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.3 p -145.94 145.92 30.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -150.7 -156.52 7.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -17.28 37.65 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.35 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -79.41 -10.26 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.7 t -79.1 -46.38 18.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -100.83 143.37 31.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -60.49 161.24 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.33 87.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 p -110.8 83.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -102.06 -45.11 5.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.57 156.33 9.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.4 mtm-85 -72.33 126.03 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.344 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -123.68 123.46 26.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 155.55 65.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.9 Cg_endo -69.75 126.7 13.62 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.707 2.271 . . . . 0.0 112.383 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.8 m -115.33 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 63.14 34.56 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.717 HD11 HG23 ' A' ' 90' ' ' VAL . 12.4 mt -59.4 128.01 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.2 112.19 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 24' ' ' LEU . 9.2 mp -94.92 114.28 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.11 130.83 56.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 21.2 t -102.78 121.61 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 20' ' ' THR . 9.8 pt-20 -117.77 -21.42 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -150.3 144.48 17.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 2.77 3.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -2.54 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.594 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -160.28 152.17 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.762 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.707 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.9 tp -131.49 128.56 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.38 145.25 30.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 76' ' ' VAL . 2.6 p -147.82 133.4 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.9 p -134.56 169.51 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 61' ' ' SER . 35.2 p90 -165.04 174.88 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 m -100.2 115.68 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.542 0.686 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.76 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -164.13 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.4 pt? -101.1 -30.78 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.75 156.16 53.4 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -67.27 114.21 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.82 HG11 ' CE1' ' A' ' 38' ' ' TYR . 90.8 t -107.37 104.45 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 mt -51.04 -62.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.0 p80 -146.6 152.29 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.82 ' CE1' HG11 ' A' ' 35' ' ' VAL . 83.5 m-85 -100.44 94.57 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.428 ' HB2' HD11 ' A' ' 81' ' ' ILE . 26.3 t-105 -59.1 106.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.662 HD22 HD21 ' A' ' 65' ' ' LEU . 1.4 tt -100.28 146.38 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 53' ' ' SER . 6.7 p -152.66 104.99 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.486 ' CD1' HD22 ' A' ' 65' ' ' LEU . 47.1 p90 -94.77 166.27 12.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -169.57 168.8 4.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.076 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo -69.74 4.1 2.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.003 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . . . 63.23 37.86 10.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -173.62 146.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.3 75.06 1.62 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.7 mt -134.16 -52.39 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.71 176.11 20.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -103.8 153.4 20.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 46.9 mmtt -117.82 -179.19 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.512 ' HB3' HG22 ' A' ' 41' ' ' THR . 93.3 p -168.53 134.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.18 133.58 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.7 t -78.29 134.05 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.45 126.55 24.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 125.1 11.71 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -40.54 -37.73 1.3 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.82 -46.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -106.92 151.88 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 10.9 t -108.18 16.34 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -152.28 163.02 40.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 p -166.02 158.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -102.47 145.06 30.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.662 HD21 HD22 ' A' ' 40' ' ' LEU . 9.1 mt -116.02 94.92 43.13 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 179.13 3.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.291 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.61 52.04 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 24' ' ' LEU . 21.7 mt -107.89 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -105.16 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.547 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -107.46 143.89 35.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 43.39 50.01 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.8 m -151.27 104.98 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 1.003 ' HE2' ' HB3' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -50.75 174.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' CE1' HD22 ' A' ' 68' ' ' LEU . 34.4 m-85 -153.68 114.14 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.43 102.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 26' ' ' VAL . 59.2 t -92.33 105.71 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.95 109.34 22.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.28 138.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 m -134.84 129.34 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.12 121.04 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.751 HD13 ' HB3' ' A' ' 86' ' ' ARG . 14.2 mm -90.74 146.24 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.61 ' CE1' HG22 ' A' ' 35' ' ' VAL . 67.3 m-85 -139.7 164.42 29.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.57 -50.26 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.63 -53.3 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -163.98 -160.53 11.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.751 ' HB3' HD13 ' A' ' 81' ' ' ILE . 4.6 ptt180 -122.8 142.87 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -71.16 174.44 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -53.96 -177.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.7 130.7 55.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.717 HG23 HD11 ' A' ' 14' ' ' LEU . 5.1 m -105.18 125.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 p -90.42 159.44 16.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.67 113.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.5 p -89.61 137.61 32.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.42 103.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -51.58 130.35 27.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -76.3 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -81.41 135.49 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.4 p -85.71 149.88 52.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.611 0.719 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.547 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 54.0 Cg_endo -69.72 102.08 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.755 2.304 . . . . 0.0 112.335 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.7 t -96.91 -47.07 5.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.17 160.77 8.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' SER . 53.9 Cg_endo -69.72 2.45 3.5 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.681 2.254 . . . . 0.0 112.385 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' PRO . 16.4 t -38.05 113.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.3 t -99.5 108.11 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -166.16 148.1 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -108.99 42.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.91 177.52 51.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -119.83 83.71 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 m -64.76 -45.55 85.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.39 141.16 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 56.6 mtm-85 -109.39 141.45 41.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -142.76 120.85 7.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 161.79 44.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.53 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.84 130.33 19.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -119.78 178.08 4.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 64.54 36.8 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 92' ' ' ALA . 16.5 mt -60.09 130.4 46.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.01 97.93 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 mp -85.79 115.79 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.75 135.35 54.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -110.8 112.32 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -108.25 -31.93 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.9 147.0 57.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -122.07 1.9 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.61 151.76 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' C ' HG23 ' A' ' 64' ' ' THR . 6.2 tp -137.87 115.53 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.597 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.9 tp-100 -68.18 140.95 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.82 HG21 HG11 ' A' ' 76' ' ' VAL . 2.4 p -147.59 115.13 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -122.78 169.99 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CH2' HD12 ' A' ' 40' ' ' LEU . 39.1 p90 -165.23 174.15 10.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -105.34 118.92 54.54 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.5 Cg_endo -69.78 142.5 48.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.6 pt? -93.52 -25.87 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.59 149.64 43.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' NE ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -67.75 110.15 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.734 HG22 ' CE1' ' A' ' 82' ' ' TYR . 62.6 t -101.51 120.07 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' NE ' ' A' ' 34' ' ' ARG . 53.7 mt -63.36 -67.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.543 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.1 p80 -136.31 151.66 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CE1' HG11 ' A' ' 35' ' ' VAL . 32.0 m-85 -99.7 97.86 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -70.23 99.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.713 HD13 HG11 ' A' ' 63' ' ' VAL . 1.8 tt -96.29 133.52 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.716 HG22 ' HB3' ' A' ' 53' ' ' SER . 17.1 p -135.88 104.22 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.808 ' CD1' HD22 ' A' ' 65' ' ' LEU . 45.4 p90 -96.82 164.81 12.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.857 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -162.28 168.97 9.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.857 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.2 Cg_endo -69.78 3.51 2.73 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.26 . . . . 0.0 112.388 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.58 27.48 16.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -170.9 149.37 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.56 69.02 0.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.63 -52.55 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.96 179.45 16.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.43 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.25 25.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.617 ' CD ' ' HB2' ' A' ' 43' ' ' ALA . 14.9 tp10 -99.26 139.62 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 22.8 mmtm -107.67 173.53 6.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.716 ' HB3' HG22 ' A' ' 41' ' ' THR . 52.0 p -161.05 115.23 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 54' ' ' VAL . 33.5 m -109.35 127.5 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.3 t -76.18 139.72 41.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.583 HG13 ' HD2' ' A' ' 57' ' ' PRO . 98.3 t -134.45 136.78 26.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.583 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.388 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -42.32 -30.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.71 -45.12 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -107.72 150.55 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.451 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 35.6 p -115.93 26.72 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.02 144.12 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 40' ' ' LEU . 1.8 p -160.89 168.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.515 HG23 ' C ' ' A' ' 24' ' ' LEU . 7.8 m -132.92 144.71 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.808 HD22 ' CD1' ' A' ' 42' ' ' TYR . 14.4 mt -103.13 95.92 7.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.82 179.8 3.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.285 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 t0 50.96 54.95 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.674 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 14.0 mt -110.29 -176.44 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -114.05 -175.08 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -111.56 150.16 30.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.39 52.39 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.1 m -162.67 105.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -58.38 172.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.674 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 27.4 m-85 -147.05 109.12 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -60.89 99.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 26' ' ' VAL . 79.8 t -87.65 109.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -102.26 109.35 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.542 HG22 ' HG ' ' A' ' 40' ' ' LEU . 17.6 t -106.8 143.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -141.33 132.48 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.18 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' A' ' 86' ' ' ARG . 8.8 mm -90.55 134.5 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.734 ' CE1' HG22 ' A' ' 35' ' ' VAL . 90.0 m-85 -128.54 165.88 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.47 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.01 -50.96 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.35 -168.75 32.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.647 ' HB3' HD13 ' A' ' 81' ' ' ILE . 9.6 ptt180 -115.21 138.55 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.6 p -66.63 176.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.0 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.59 121.75 40.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 11' ' ' PRO . 9.4 m -95.18 123.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 p -89.74 160.42 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -169.6 119.07 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.3 p -96.98 129.05 44.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -132.13 90.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -40.41 134.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.427 HG22 HD13 ' A' ' 24' ' ' LEU . 18.7 p -79.46 -175.53 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.21 154.49 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 21.0 p -107.89 144.5 29.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.729 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.443 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 53.2 Cg_endo -69.83 -50.58 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.286 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t 61.02 39.74 16.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.04 -177.07 39.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -37.47 9.11 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.4 m -42.1 -43.96 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.5 t -120.37 151.76 38.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 28.4 t -37.6 154.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -115.85 119.16 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 172.41 32.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -47.26 -47.13 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -128.37 163.24 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.65 -177.06 25.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.46 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 32.8 mtt180 -68.49 116.43 9.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -112.75 119.85 42.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 158.49 56.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.7 140.28 42.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -131.12 177.6 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.33 37.29 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 92' ' ' ALA . 11.7 mt -62.29 126.58 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.03 106.29 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.587 HD23 HD21 ' A' ' 24' ' ' LEU . 8.3 mp -89.72 114.48 26.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.91 121.34 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.8 t -98.7 116.5 31.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' A' ' 20' ' ' THR . 5.1 pt-20 -111.68 -26.55 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.565 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -144.62 144.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 53.2 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.22 -0.45 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -159.34 146.11 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.614 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.2 tp -130.01 119.68 23.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -77.94 137.15 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.589 HG21 HG11 ' A' ' 76' ' ' VAL . 2.8 p -140.98 125.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.8 p -127.61 161.89 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.408 ' CH2' HD12 ' A' ' 40' ' ' LEU . 42.1 p90 -157.34 170.78 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.7 m -93.68 113.41 60.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.2 Cg_endo -69.83 137.97 36.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -175.31 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.746 ' O ' HD13 ' A' ' 32' ' ' LEU . 1.3 tm? -95.96 -42.58 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.15 137.72 40.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -55.85 102.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.79 124.3 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD12 HG22 ' A' ' 81' ' ' ILE . 23.1 mt -55.21 -65.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -146.76 176.46 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 42.4 m-85 -116.89 101.71 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -71.11 103.17 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.618 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.3 tt -97.48 134.39 40.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.735 HG22 ' OG ' ' A' ' 53' ' ' SER . 13.6 p -134.98 89.81 2.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.599 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.9 p90 -86.42 143.08 27.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -154.61 154.91 30.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.541 0.686 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' ALA . 53.5 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . . . -34.17 -36.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' PRO . 4.8 t -36.89 -51.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.21 -22.97 24.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -86.82 47.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -171.95 153.9 20.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 166.51 27.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -106.36 149.9 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -111.01 177.42 4.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.735 ' OG ' HG22 ' A' ' 41' ' ' THR . 45.5 m -154.21 116.39 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 65' ' ' LEU . 34.9 m -119.6 132.33 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -78.98 146.7 33.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.7 t -134.83 136.85 26.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.596 ' HD2' HG13 ' A' ' 56' ' ' VAL . 54.3 Cg_endo -69.74 113.37 3.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.58 -42.3 0.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.9 -46.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.513 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 14.1 ptp180 -105.04 155.35 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.45 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 24.2 p -113.43 33.21 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -161.31 166.66 27.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.6 159.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 3.1 m -107.05 131.0 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 42' ' ' TYR . 23.7 mt -101.78 97.53 8.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.76 178.93 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 54.59 52.06 12.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 24' ' ' LEU . 12.4 mt -110.48 160.4 16.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -93.74 178.56 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . . . -106.91 149.51 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 50.59 43.63 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 61.0 m -152.37 106.95 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.544 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -60.51 174.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CE1' HD22 ' A' ' 68' ' ' LEU . 37.5 m-85 -148.36 113.71 5.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ALA . 7.0 ttm180 -61.45 95.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.589 HG11 HG21 ' A' ' 26' ' ' VAL . 71.8 t -82.86 116.78 27.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.89 107.62 16.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.618 HG22 ' HG ' ' A' ' 40' ' ' LEU . 43.4 t -105.38 146.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 132.79 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.501 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -85.54 119.99 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.45 121.73 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CE2' ' HA ' ' A' ' 8' ' ' ARG . 80.6 m-85 -113.08 168.72 9.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.11 -49.47 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.44 -178.07 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -106.25 137.46 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.4 p -72.06 172.71 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -53.66 175.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.83 126.07 54.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.435 HG23 HD11 ' A' ' 14' ' ' LEU . 12.7 m -98.97 128.3 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.0 p -88.65 158.48 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -163.69 110.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -91.56 133.52 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.474 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -145.03 103.28 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -52.99 142.4 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 HD13 ' A' ' 24' ' ' LEU . 7.7 p -88.59 174.68 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -80.87 174.27 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.085 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.5 p -103.94 152.58 39.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 70' ' ' ALA . 54.0 Cg_endo -69.76 -32.42 18.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 t 67.55 44.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 54.57 -119.22 11.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -41.88 3.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.407 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -65.27 161.26 19.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.4 m -132.0 171.05 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -81.31 83.82 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -69.05 154.19 42.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.42 167.17 42.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -105.52 175.33 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -65.09 124.29 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.43 -47.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 49.4 mtm180 -72.8 132.52 43.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -132.01 120.41 17.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.71 59.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.515 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.78 129.69 18.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -118.15 178.09 4.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 62.46 39.54 11.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 HG23 ' A' ' 90' ' ' VAL . 12.6 mt -64.01 127.87 33.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.0 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD23 HD21 ' A' ' 24' ' ' LEU . 9.6 mp -94.08 117.24 29.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.92 117.32 31.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -98.75 105.28 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -97.23 -21.59 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.82 147.48 27.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.95 3.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.0 -2.71 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.39 153.75 33.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.655 HD21 HD23 ' A' ' 16' ' ' LEU . 7.9 tp -137.99 110.84 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 2.8 tt0 -71.65 149.98 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 76' ' ' VAL . 2.7 p -151.97 131.38 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -128.58 170.45 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -168.03 167.74 12.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.403 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 97.6 m -96.0 110.92 54.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 29' ' ' THR . 54.4 Cg_endo -69.67 142.24 47.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.48 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 32' ' ' LEU . 7.8 tt -104.68 -36.82 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.33 150.99 14.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -64.71 99.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 81' ' ' ILE . 1.4 p -102.38 119.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.8 mt -56.07 -65.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -145.58 176.8 9.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.93 97.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -64.53 99.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.3 tt -90.54 142.34 27.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 p -144.9 105.01 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.644 ' CD2' HD22 ' A' ' 65' ' ' LEU . 41.0 p90 -101.69 155.74 17.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -154.07 169.04 10.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 111.044 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo -69.8 3.21 2.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . . . 58.12 32.37 21.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.1 p -157.05 144.12 18.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.2 67.2 2.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 mt -132.59 -49.91 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.92 171.58 14.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 163.38 38.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.767 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 22.9 tt0 -99.11 134.21 42.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.497 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 40.2 mmtt -86.46 -177.86 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.14 122.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.3 135.05 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -79.75 148.89 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 57' ' ' PRO . 91.3 t -130.95 137.37 30.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.65 0.738 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.616 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.79 110.95 2.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' ALA . . . -35.53 -44.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -34.01 -46.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.505 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 4.5 ptp180 -104.3 161.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.9 p -117.49 30.39 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -161.22 166.72 27.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 40' ' ' LEU . 6.9 p -171.03 152.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -101.98 140.28 36.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.644 HD22 ' CD2' ' A' ' 42' ' ' TYR . 14.9 mt -108.21 95.39 15.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.63 4.35 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.375 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.0 54.31 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 24' ' ' LEU . 24.0 mt -113.61 169.5 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -98.24 -175.09 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -110.34 155.79 21.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 42.57 32.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -136.98 106.29 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -57.48 173.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.463 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 27.5 m-85 -149.04 109.77 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 45' ' ' ALA . 3.5 ttm105 -57.73 104.68 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 26' ' ' VAL . 53.2 t -95.38 111.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -108.27 110.8 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 t -107.66 151.47 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.71 134.42 16.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.78 117.06 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.1 mm -86.56 135.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 73.1 m-85 -130.27 162.47 28.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.49 -52.27 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.24 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.16 -174.2 35.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' CB ' HD13 ' A' ' 81' ' ' ILE . 7.1 ptt-85 -107.75 141.91 38.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -69.36 178.33 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.37 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.0 123.32 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 14' ' ' LEU . 10.9 m -100.76 117.11 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -87.67 166.37 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.2 116.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -92.05 125.53 36.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.75 92.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 31.6 tt0 -47.34 120.9 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 p -60.73 -176.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.05 149.95 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 23.9 p -93.76 143.61 26.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.78 94.14 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.273 . . . . 0.0 112.308 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 87.1 p -102.15 164.36 11.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.05 151.25 9.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 160.08 51.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.8 t -74.79 103.47 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.5 t -71.9 -57.49 4.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -77.93 -61.36 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.376 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -78.44 -58.85 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.42 -121.9 1.47 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -82.8 -47.86 11.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -108.56 177.49 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.8 -99.86 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 71.3 mtm180 -124.52 131.64 53.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -118.09 121.9 30.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.696 0.76 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 157.3 60.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 127.79 15.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -113.29 177.83 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 62.25 46.46 6.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 92' ' ' ALA . 12.3 mt -65.43 131.04 45.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.65 112.1 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 24' ' ' LEU . 8.8 mp -93.88 105.08 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.79 124.39 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.733 ' CB ' HD12 ' A' ' 24' ' ' LEU . 2.4 p -100.77 123.78 45.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.418 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 5.2 mt-10 -102.68 -18.58 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.56 148.8 32.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.521 0.677 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -121.0 -0.46 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -157.33 149.32 22.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.733 HD12 ' CB ' ' A' ' 18' ' ' SER . 6.9 tp -125.17 124.82 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.4 tt0 -84.53 142.44 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG21 HG11 ' A' ' 76' ' ' VAL . 6.8 p -143.48 137.81 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.3 p -135.8 174.65 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -170.2 168.03 8.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.2 m -92.89 106.73 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.34 42.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -165.23 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.5 pt? -104.74 -27.07 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.89 150.23 46.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.19 106.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.716 HG22 ' CE1' ' A' ' 82' ' ' TYR . 89.9 t -105.16 117.22 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.85 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.615 ' CE1' HG21 ' A' ' 81' ' ' ILE . 5.3 p-80 -140.67 176.76 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE1' HG11 ' A' ' 35' ' ' VAL . 28.8 m-85 -123.07 92.29 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -61.19 110.24 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.2 tt -104.33 138.86 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.723 HG22 ' OG ' ' A' ' 53' ' ' SER . 2.1 p -140.95 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.435 ' CD1' HD22 ' A' ' 65' ' ' LEU . 54.9 p90 -102.6 161.55 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -173.23 164.07 3.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo -69.85 99.89 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.4 -33.95 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' GLY . 43.5 m -88.65 38.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' SER . . . 34.15 76.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 mt -124.45 36.9 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 132.73 -171.25 21.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -176.87 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -117.73 144.52 45.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 20.8 mmtp -106.73 177.31 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.723 ' OG ' HG22 ' A' ' 41' ' ' THR . 6.5 m -154.73 123.98 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.67 135.0 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -81.3 142.35 33.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.657 HG13 ' HD2' ' A' ' 57' ' ' PRO . 92.7 t -128.99 138.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.657 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.7 Cg_endo -69.78 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -35.93 -43.16 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.26 -43.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 4.5 ptp180 -107.08 142.91 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.7 p -102.67 33.08 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -163.69 155.51 17.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.537 HG11 HD13 ' A' ' 40' ' ' LEU . 7.5 p -160.56 154.48 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -104.66 135.3 46.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD22 ' CD1' ' A' ' 42' ' ' TYR . 13.2 mt -105.27 95.29 9.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 179.36 3.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 t0 58.28 54.82 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 21.0 mt -120.78 168.8 11.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' O ' HG21 ' A' ' 96' ' ' THR . 6.4 mm100 -102.74 174.97 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.471 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -102.37 152.49 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 54.78 37.09 27.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.445 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 58.8 m -148.94 105.46 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' CA ' ' HA ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -62.16 174.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.484 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 64.6 m-85 -151.36 119.26 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -64.68 100.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.677 HG13 HD21 ' A' ' 40' ' ' LEU . 71.9 t -92.05 107.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mp -103.26 117.54 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.724 HG22 ' HG ' ' A' ' 40' ' ' LEU . 42.1 t -115.3 146.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -142.06 132.32 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.476 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -80.77 127.6 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.1 mp -95.86 144.24 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.716 ' CE1' HG22 ' A' ' 35' ' ' VAL . 89.6 m-85 -138.67 170.38 16.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -44.76 80.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.31 30.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.99 169.86 39.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -89.43 145.95 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 p -77.57 177.01 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.57 -179.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.01 129.33 55.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.01 121.27 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -90.61 165.21 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -172.76 129.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.415 ' C ' HD22 ' A' ' 16' ' ' LEU . 30.7 p -98.26 140.47 32.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.463 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -150.1 100.42 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 42.7 tt0 -52.65 130.58 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 69' ' ' GLN . 19.7 p -64.37 -177.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 122.2 27.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.4 t -85.42 136.85 37.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.471 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 53.7 Cg_endo -69.8 -46.57 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.2 p -155.68 135.99 13.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -97.6 150.3 19.45 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 91.28 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -139.05 124.21 19.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 m -100.34 105.22 16.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -113.48 107.49 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -146.04 150.05 35.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.16 -166.3 36.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -74.75 143.71 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -130.37 101.9 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.68 28.08 9.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.56 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 72.4 mtm180 -150.78 140.66 21.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -143.88 119.39 6.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 156.57 62.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.16 12.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -115.34 177.43 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 62.34 34.76 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.672 HD11 HG23 ' A' ' 90' ' ' VAL . 12.6 mt -56.62 125.98 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.71 110.88 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.664 HD23 ' HA3' ' A' ' 94' ' ' GLY . 8.8 mp -95.5 117.59 30.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.75 129.56 56.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -109.39 104.2 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.4 pt-20 -97.65 -19.76 18.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.587 HG22 ' HG3' ' A' ' 19' ' ' GLU . 1.1 t -158.82 146.17 13.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 0.0 111.151 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 54.0 Cg_endo -69.79 6.1 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.06 -24.58 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.527 ' HB2' HG22 ' A' ' 64' ' ' THR . 51.0 p -144.93 150.85 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 68' ' ' LEU . 11.3 tp -126.56 118.63 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.39 140.12 36.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 76' ' ' VAL . 3.9 p -146.35 127.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -126.95 179.69 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -172.12 172.7 4.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.6 m -98.85 111.74 61.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 138.12 37.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -164.12 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.7 tp -93.58 -49.03 6.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.43 156.47 5.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.559 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -72.08 122.28 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.346 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.663 HG11 ' CE1' ' A' ' 38' ' ' TYR . 77.8 t -108.18 97.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.15 -58.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.531 ' NE2' HG21 ' A' ' 81' ' ' ILE . 7.7 p80 -151.89 159.82 43.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.663 ' CE1' HG11 ' A' ' 35' ' ' VAL . 47.1 m-85 -104.86 97.82 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -65.17 100.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD13 HG11 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -96.52 143.26 27.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.621 HG22 ' HB3' ' A' ' 53' ' ' SER . 6.8 p -145.9 110.44 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.511 ' HE1' HG13 ' A' ' 54' ' ' VAL . 25.6 p90 -111.8 148.0 34.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.765 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -174.79 165.85 2.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.765 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo -69.74 109.37 2.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.0 -40.73 58.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.29 -34.94 11.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.64 63.42 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.22 10.12 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.4 -177.83 28.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 178.99 3.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -114.17 123.67 50.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -92.2 173.7 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.621 ' HB3' HG22 ' A' ' 41' ' ' THR . 60.1 p -167.04 124.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.511 HG13 ' HE1' ' A' ' 42' ' ' TYR . 33.4 m -122.76 130.61 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -78.77 147.91 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.505 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.5 t -141.05 134.84 14.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.75 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.566 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.55 -35.86 0.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.17 -40.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -106.86 151.83 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -114.85 23.39 12.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -152.7 153.92 34.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.581 HG11 HD13 ' A' ' 40' ' ' LEU . 7.8 p -162.01 158.52 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 23' ' ' SER . 19.1 m -115.39 137.98 51.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' CG ' ' A' ' 42' ' ' TYR . 18.4 mt -104.91 95.39 8.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.76 -178.46 2.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 54.62 55.01 8.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 74' ' ' TYR . 34.2 mt -116.58 166.46 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -98.16 -174.78 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -114.58 148.73 37.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 57.24 53.92 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.8 m -156.37 145.04 20.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -88.96 172.9 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 51.4 m-85 -157.21 112.18 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' CD ' HD11 ' A' ' 77' ' ' LEU . 8.1 ttm180 -69.55 93.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 26' ' ' VAL . 99.3 t -81.35 100.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD11 ' CD ' ' A' ' 75' ' ' ARG . 2.4 mp -97.1 106.95 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG22 ' HG ' ' A' ' 40' ' ' LEU . 9.9 t -107.07 139.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -136.46 141.06 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.78 122.63 31.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 86' ' ' ARG . 11.5 mm -93.63 135.98 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 72.8 m-85 -130.82 161.29 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.79 -46.13 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.13 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.31 -169.11 30.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.758 ' HB3' HD13 ' A' ' 81' ' ' ILE . 7.7 ptt180 -115.46 136.95 52.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.8 p -66.79 177.17 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.72 -178.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.62 131.63 55.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.672 HG23 HD11 ' A' ' 14' ' ' LEU . 3.6 m -102.99 124.85 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 p -87.36 155.58 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -162.16 118.38 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.9 p -95.18 118.49 32.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.664 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -126.42 96.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -54.83 132.72 46.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 p -68.53 177.03 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.53 130.19 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.88 134.79 49.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.714 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.8 -177.32 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.319 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.5 p -95.51 -51.0 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.95 -154.99 17.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -34.11 15.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.361 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.0 p -80.11 138.72 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 m -119.09 81.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -111.8 131.79 55.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -169.74 167.25 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.21 -143.97 6.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -149.93 160.31 43.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -61.0 168.06 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.82 -94.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.552 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 31.3 mtm180 -74.17 141.67 45.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -126.75 118.84 22.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.77 59.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HG3' HG12 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.81 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -112.8 177.85 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 62.69 36.38 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 90' ' ' VAL . 11.6 mt -59.65 122.53 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.55 104.81 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.694 HD23 HD21 ' A' ' 24' ' ' LEU . 8.8 mp -87.03 113.69 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.88 122.77 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB2' HD12 ' A' ' 24' ' ' LEU . 26.7 t -99.04 115.22 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -103.09 -35.48 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.66 145.98 59.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.83 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.359 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.01 -5.54 9.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -150.14 148.54 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 16' ' ' LEU . 11.9 tp -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -81.55 138.55 35.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.782 HG21 HG11 ' A' ' 76' ' ' VAL . 4.1 p -139.59 128.49 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 p -126.52 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -166.96 168.8 13.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 m -96.22 110.65 53.36 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.552 0.691 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 137.71 35.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -173.75 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.1 pp -87.5 -43.09 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.662 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -58.71 133.27 52.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 123.65 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.806 HG22 ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -114.74 110.09 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -46.04 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.58 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.2 p80 -142.79 170.42 15.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -118.75 104.02 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -70.78 105.5 3.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD22 HD21 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -97.58 135.74 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.781 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.6 p -140.35 105.6 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -101.2 146.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -150.02 163.02 26.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo -69.78 1.49 4.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' A' ' 75' ' ' ARG . . . 58.2 39.05 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -117.95 -40.29 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.1 -38.8 2.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 49' ' ' GLY . 4.0 pp -62.7 -41.34 99.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.544 ' N ' HD12 ' A' ' 48' ' ' LEU . . . -90.16 154.73 23.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 147.72 64.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 12.7 pt-20 -104.53 138.96 40.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -88.17 175.35 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.781 ' HB3' HG22 ' A' ' 41' ' ' THR . 77.7 p -155.54 111.63 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.7 m -106.86 138.7 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -83.47 147.18 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.598 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.2 t -132.94 136.96 28.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.75 111.59 2.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.88 -39.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -38.09 -45.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.508 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.3 ptp180 -105.44 158.44 16.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -115.89 36.13 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -164.49 163.48 22.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.527 ' CG1' HD13 ' A' ' 40' ' ' LEU . 6.0 p -169.13 147.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -97.7 134.14 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD21 HD22 ' A' ' 40' ' ' LEU . 9.6 mt -103.9 95.47 7.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.08 11.46 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 64.47 52.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.713 HD22 ' CE2' ' A' ' 74' ' ' TYR . 30.9 mt -120.79 174.66 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -89.45 -174.51 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 97' ' ' ALA . . . -103.27 -33.01 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -134.56 69.74 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.2 m -152.17 140.62 20.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -84.74 145.67 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.713 ' CE2' HD22 ' A' ' 68' ' ' LEU . 22.0 m-85 -135.77 112.82 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.658 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 11.1 ttt180 -67.76 97.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.782 HG11 HG21 ' A' ' 26' ' ' VAL . 93.4 t -81.99 107.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 75' ' ' ARG . 3.6 mp -101.94 111.51 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.576 HG12 ' HG3' ' A' ' 11' ' ' PRO . 20.2 t -111.94 142.89 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 49.5 m -146.87 125.61 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.515 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -74.38 129.85 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.1 mp -99.4 131.59 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.806 ' CE1' HG22 ' A' ' 35' ' ' VAL . 80.2 m-85 -123.82 169.12 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.58 -45.28 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 -52.48 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.49 40.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -87.7 143.11 27.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 99.5 p -77.14 173.35 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -48.79 177.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.02 129.91 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 14' ' ' LEU . 3.2 m -100.57 126.8 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 p -95.61 152.84 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.05 120.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.4 p -87.92 134.68 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -145.4 91.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 96' ' ' THR . 6.8 tt0 -49.6 151.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.401 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 2.4 p -86.36 173.08 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.472 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -77.79 128.27 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.3 161.37 13.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.23 3.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.6 t -64.58 -61.18 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 67.48 -155.56 52.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 101.83 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 t -89.82 122.54 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.0 t -59.71 128.66 38.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -128.68 110.07 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -94.96 107.31 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.06 102.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -55.12 124.07 15.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -130.39 89.65 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.52 -53.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 62.3 mtm180 -114.81 117.74 31.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -119.38 121.26 30.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 159.39 53.6 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 126.01 12.79 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -116.41 178.05 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 62.49 41.34 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 90' ' ' VAL . 12.9 mt -63.44 131.24 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.63 105.86 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 24' ' ' LEU . 8.4 mp -91.27 117.18 29.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.54 132.92 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -109.14 113.49 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -107.16 -30.18 8.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.95 145.1 37.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.91 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.8 -4.31 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.458 ' C ' HD12 ' A' ' 68' ' ' LEU . 1.6 m -159.34 147.91 17.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.72 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.9 tp -126.94 127.8 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 2.5 tp-100 -81.13 142.63 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.6 HG21 HG11 ' A' ' 76' ' ' VAL . 3.5 p -148.02 129.18 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -131.38 177.9 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.51 ' CD1' ' OG ' ' A' ' 61' ' ' SER . 36.5 p90 -172.69 174.22 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -102.66 121.43 49.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.568 0.699 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.59 40.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 173.75 10.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -48.41 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.8 128.22 10.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.24 155.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.613 HG22 ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -130.86 106.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -38.18 -55.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 1.049 ' CE1' HG21 ' A' ' 81' ' ' ILE . 18.5 p-80 -157.52 156.8 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 24.7 m-85 -105.08 105.18 15.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CE2' ' OG ' ' A' ' 53' ' ' SER . 18.2 t-105 -81.14 104.08 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD21 HG13 ' A' ' 76' ' ' VAL . 1.2 tt -97.66 136.06 38.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -129.61 85.52 2.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.918 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.7 p90 -87.65 150.36 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -174.12 162.94 2.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.663 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo -69.8 103.56 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.566 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . . . -37.49 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' PRO . 83.3 p -39.07 -40.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.5 -38.4 3.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.507 HD12 ' N ' ' A' ' 49' ' ' GLY . 4.2 pp -60.45 -36.72 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.507 ' N ' HD12 ' A' ' 48' ' ' LEU . . . -72.92 163.02 54.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.434 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -175.66 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -120.3 134.98 55.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -119.43 168.77 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' A' ' 39' ' ' TRP . 8.6 t -152.23 147.72 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 54' ' ' VAL . 31.5 m -142.86 126.11 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.86 146.98 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 57' ' ' PRO . 98.4 t -137.69 139.17 26.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 107.98 1.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.524 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.01 -37.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -39.29 -50.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.505 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.1 ptp180 -99.26 157.59 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.51 ' OG ' ' CD1' ' A' ' 28' ' ' TRP . 2.2 t -117.72 27.46 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -150.03 148.17 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 40' ' ' LEU . 2.1 p -154.09 163.89 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -120.52 136.38 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.918 HD22 ' CD1' ' A' ' 42' ' ' TYR . 9.1 mt -106.44 95.3 11.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.68 177.49 5.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.377 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.1 t0 57.49 53.9 7.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 24' ' ' LEU . 20.8 mt -108.99 171.57 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -102.94 -177.48 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -110.87 131.57 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.09 44.98 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.8 m -153.94 105.75 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -56.95 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 68' ' ' LEU . 32.7 m-85 -151.16 108.55 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' ALA . 10.7 ttm-85 -58.02 93.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.759 HG13 HD21 ' A' ' 40' ' ' LEU . 42.2 t -82.72 106.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.09 107.84 19.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.57 HG22 ' HG ' ' A' ' 40' ' ' LEU . 3.8 t -104.47 151.63 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 23.1 m -150.1 126.73 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.518 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.31 125.87 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.049 HG21 ' CE1' ' A' ' 37' ' ' HIS . 1.1 mp -98.07 136.68 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.613 ' CE1' HG22 ' A' ' 35' ' ' VAL . 72.1 m-85 -130.77 169.68 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.24 -43.64 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.94 -40.79 45.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.56 177.93 44.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -99.81 148.12 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -81.27 174.79 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -53.23 168.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.86 135.89 44.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.433 HG23 HD11 ' A' ' 14' ' ' LEU . 3.6 m -106.47 117.2 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 p -87.67 155.27 20.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.73 124.62 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.1 p -96.12 125.38 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.404 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -132.05 90.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.544 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 43.9 tt0 -47.84 127.72 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.391 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.7 p -71.22 -178.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.7 160.93 19.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.1 p -113.05 147.89 38.25 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.61 0.719 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.539 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 53.5 Cg_endo -69.75 -22.66 31.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.3 t -52.13 155.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.34 -157.8 31.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 105' ' ' GLY . 53.3 Cg_endo -69.8 167.43 24.53 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 p -39.44 -43.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.6 m -71.27 -39.68 71.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p -63.71 -44.35 93.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -69.73 170.11 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.05 56.61 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 p -112.85 -44.65 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -108.96 172.6 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 -41.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 5.4 mtp-105 -73.47 124.55 26.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.346 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -139.38 112.43 7.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.83 68.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.64 9.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -106.94 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 62.4 35.97 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD11 HG23 ' A' ' 90' ' ' VAL . 12.5 mt -59.86 131.8 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.64 109.93 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 24' ' ' LEU . 9.7 mp -90.3 119.35 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.14 123.9 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -100.79 113.28 26.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.79 -30.76 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.83 147.45 35.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.15 -9.68 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 m -154.34 153.58 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.7 tp -133.46 121.53 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -76.23 144.74 40.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG21 HG11 ' A' ' 76' ' ' VAL . 2.5 p -148.02 121.5 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -121.7 170.94 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CE2' ' O ' ' A' ' 61' ' ' SER . 26.2 p90 -172.66 168.33 5.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.1 m -96.53 114.65 64.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 141.95 46.31 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -173.94 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -95.19 -42.77 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.83 149.17 5.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 96.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 81' ' ' ILE . 3.9 p -97.46 112.74 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.89 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CE1' HG21 ' A' ' 81' ' ' ILE . 12.4 p-80 -136.37 174.68 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 44.9 m-85 -116.32 93.41 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.01 107.76 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.719 ' CD2' HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -95.91 156.13 16.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 40' ' ' LEU . 17.9 p -164.89 104.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 52' ' ' LYS . 20.3 p90 -100.48 166.12 11.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -160.14 169.43 10.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.689 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo -69.74 4.19 2.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . . . 62.3 29.18 17.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -105.85 -46.38 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.78 -37.74 3.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -79.58 -33.47 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.74 170.1 53.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 171.51 14.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -139.51 127.39 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 17.0 mmtp -78.57 -175.77 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 41' ' ' THR . 83.3 p -161.25 141.79 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 40' ' ' LEU . 17.4 m -139.89 142.1 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -88.11 144.22 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.01 131.5 19.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.9 18.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -46.9 -32.72 6.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.93 -45.42 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.9 148.36 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.453 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 88.6 p -107.55 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.62 170.04 16.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.537 HG11 HD22 ' A' ' 40' ' ' LEU . 3.5 p -166.03 157.19 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.7 m -114.85 133.77 55.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.719 HD21 ' CD2' ' A' ' 40' ' ' LEU . 36.5 mt -102.98 96.57 8.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.71 -175.68 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.385 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 46.68 53.42 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 24' ' ' LEU . 12.6 mt -108.08 165.17 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -95.54 -175.19 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.08 152.93 28.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.44 46.71 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -153.69 105.75 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.507 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -57.74 163.7 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 35.6 m-85 -140.12 110.3 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -61.13 98.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 26' ' ' VAL . 93.8 t -86.05 117.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mp -110.26 112.96 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' A' ' 40' ' ' LEU . 5.8 t -114.12 140.98 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -139.09 135.15 33.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.93 119.81 24.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 86' ' ' ARG . 16.2 mm -87.71 147.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 8' ' ' ARG . 65.9 m-85 -145.28 160.77 41.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.43 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.62 17.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.99 -160.0 11.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.757 ' HB3' HD13 ' A' ' 81' ' ' ILE . 6.4 ptt180 -125.64 131.18 52.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.346 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.4 p -58.29 167.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -52.26 176.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.83 130.74 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.659 HG23 HD11 ' A' ' 14' ' ' LEU . 6.7 m -102.33 124.91 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 p -90.82 153.82 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.01 121.67 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -98.74 129.18 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -134.81 94.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 18.7 tt0 -47.39 120.8 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -64.0 -179.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.22 131.79 34.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.9 m -45.72 160.22 0.28 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.646 0.736 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 151.5 68.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.1 m -64.15 136.46 57.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.6 -178.74 28.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 158.16 57.92 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.7 p -63.86 -21.3 66.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.3 p -81.86 104.97 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -100.81 145.66 28.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.6 p -132.76 155.72 48.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.5 -151.13 23.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 m -120.81 40.87 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 p -60.27 -55.13 37.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.4 -54.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.542 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.6 mtm105 -59.92 118.3 6.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 t -117.4 123.59 29.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.708 0.766 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.522 ' HG3' HG12 ' A' ' 78' ' ' VAL . 54.4 Cg_endo -69.69 127.14 14.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.383 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -113.28 177.54 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 57.7 45.7 18.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 90' ' ' VAL . 11.7 mt -63.52 128.08 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.79 105.82 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.516 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.9 mp -92.35 103.9 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.93 129.41 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.687 ' CB ' HD12 ' A' ' 24' ' ' LEU . 3.2 p -108.61 126.99 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.51 -22.64 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -142.08 148.0 46.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 111.187 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -2.96 11.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.13 -2.07 17.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -152.33 171.42 18.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.687 HD12 ' CB ' ' A' ' 18' ' ' SER . 6.6 tp -145.7 127.84 15.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' ALA . 1.9 tt0 -93.24 137.09 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -143.96 141.22 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -139.64 -179.6 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.6 p90 -170.54 171.27 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.8 m -93.51 115.17 64.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.6 19.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.46 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.1 pp -100.3 -41.74 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.608 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -48.83 152.51 2.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 89.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG11 ' OH ' ' A' ' 38' ' ' TYR . 4.8 p -89.3 116.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.76 -68.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.3 p80 -137.87 174.98 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.502 ' OH ' HG11 ' A' ' 35' ' ' VAL . 66.4 m-85 -118.36 97.46 5.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -67.22 113.99 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 63' ' ' VAL . 1.1 tt -106.18 136.45 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.625 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.2 p -134.78 93.12 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.605 ' CD2' HD22 ' A' ' 65' ' ' LEU . 25.4 p90 -91.81 144.25 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.591 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . . . -163.61 159.08 17.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 111.114 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.73 98.82 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -36.91 -48.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.1 m -39.67 -49.68 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.69 49.72 2.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.16 12.38 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -153.4 177.48 30.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 176.21 7.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.734 2.289 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.591 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 6.9 tt0 -102.02 169.62 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -144.76 173.45 11.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.625 ' HB3' HG22 ' A' ' 41' ' ' THR . 21.7 p -164.02 141.34 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.5 131.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -71.83 150.53 44.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.5 t -142.13 130.29 11.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 54.1 Cg_endo -69.73 119.88 6.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.45 -35.25 2.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.85 -42.43 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.069 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 8.6 ptp180 -108.16 144.26 35.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -102.47 25.32 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -151.0 162.68 40.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 40' ' ' LEU . 7.8 p -163.12 155.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 m -109.38 141.81 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.605 HD22 ' CD2' ' A' ' 42' ' ' TYR . 57.5 mt -112.5 93.28 22.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.8 Cg_endo -69.71 171.65 14.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.97 55.02 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.928 HD22 ' CE2' ' A' ' 74' ' ' TYR . 30.8 mt -120.7 157.87 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.93 -177.68 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 97' ' ' ALA . . . -111.84 146.24 38.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.75 43.29 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.9 m -140.38 143.92 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.605 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -84.41 166.06 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.928 ' CE2' HD22 ' A' ' 68' ' ' LEU . 33.4 m-85 -155.16 105.35 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.67 90.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.09 107.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -102.54 106.18 16.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 11' ' ' PRO . 39.8 t -102.85 139.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.7 m -142.11 130.15 21.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.478 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -80.79 126.05 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -97.0 130.51 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 87.4 m-85 -123.53 165.11 17.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.6 -50.72 31.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.14 43.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.36 167.98 39.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -88.11 144.85 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.426 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 85.6 p -77.79 175.02 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -50.44 173.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.94 133.08 55.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.567 HG23 HD11 ' A' ' 14' ' ' LEU . 5.5 m -106.79 123.48 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.4 p -90.8 156.72 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.53 123.58 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 p -89.91 120.72 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.516 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -124.05 91.53 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -56.94 123.42 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.1 p -61.46 178.27 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.451 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -76.17 135.6 39.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.1 m -76.87 152.87 82.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -41.43 4.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 t -142.36 138.44 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.62 139.31 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -6.5 18.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -133.04 122.72 24.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.2 t -57.94 107.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -72.37 -55.61 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -100.9 124.94 47.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.0 145.56 16.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.456 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m 52.89 42.21 32.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -93.24 87.29 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.15 69.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -133.01 107.35 8.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -122.39 122.46 27.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.81 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 158.12 58.03 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' O ' HG21 ' A' ' 90' ' ' VAL . 54.4 Cg_endo -69.71 126.71 13.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -117.01 177.38 4.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 61.84 35.19 16.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.748 HD11 HG23 ' A' ' 90' ' ' VAL . 10.9 mt -56.41 128.77 37.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.89 106.07 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.697 HD21 ' CG2' ' A' ' 76' ' ' VAL . 10.5 mp -93.01 116.68 29.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.72 132.13 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -110.3 114.6 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.23 -32.11 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -142.42 145.34 34.46 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 9.23 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.19 -19.09 12.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -150.21 159.54 44.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 68' ' ' LEU . 9.3 tp -135.19 119.66 18.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -79.09 143.87 35.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.745 HG21 HG11 ' A' ' 76' ' ' VAL . 4.7 p -148.73 127.79 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.27 175.2 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -166.28 172.62 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.4 m -96.0 115.4 65.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 0.0 111.196 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.07 22.53 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.2 pp -101.05 -39.26 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.58 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -51.89 167.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -84.48 96.95 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.649 HG21 ' CE1' ' A' ' 38' ' ' TYR . 2.4 p -95.12 121.82 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.82 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.505 ' CD2' HG13 ' A' ' 81' ' ' ILE . 13.8 p-80 -138.67 166.22 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.649 ' CE1' HG21 ' A' ' 35' ' ' VAL . 31.3 m-85 -112.21 90.94 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -61.49 99.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.976 HD13 HG11 ' A' ' 63' ' ' VAL . 1.4 tt -99.41 133.11 44.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.749 HG22 ' OG ' ' A' ' 53' ' ' SER . 7.9 p -133.67 113.5 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.807 ' CD1' HD22 ' A' ' 65' ' ' LEU . 23.3 p90 -106.15 141.23 37.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -148.65 159.32 38.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo -69.77 3.05 3.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.79 38.54 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 m -115.34 -44.79 2.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.27 -36.92 3.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 49' ' ' GLY . 3.7 pp -74.7 -41.84 59.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' N ' HD12 ' A' ' 48' ' ' LEU . . . -71.65 168.76 51.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 133.65 26.08 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.537 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 17.6 tt0 -93.56 127.26 39.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 57.8 mmtt -90.94 169.74 10.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.749 ' OG ' HG22 ' A' ' 41' ' ' THR . 11.9 m -164.21 124.88 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -108.12 157.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.9 p -100.21 150.2 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.3 t -136.77 134.66 19.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 54.2 Cg_endo -69.69 0.1 6.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . 74.67 -47.97 1.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 13.1 ptm180 -93.73 145.82 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.9 p -103.73 27.67 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -155.56 172.29 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.976 HG11 HD13 ' A' ' 40' ' ' LEU . 9.5 p -173.99 154.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.9 m -114.84 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.807 HD22 ' CD1' ' A' ' 42' ' ' TYR . 14.2 mt -103.51 94.87 6.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 64' ' ' THR . 53.3 Cg_endo -69.8 174.26 9.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.297 . . . . 0.0 112.275 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 57.39 54.99 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.955 HD22 ' CE2' ' A' ' 74' ' ' TYR . 13.3 mt -113.06 169.63 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -108.38 -175.19 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.426 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . . . -114.87 148.06 39.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.58 48.57 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -151.96 142.78 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.3 mppt? -85.68 166.61 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.955 ' CE2' HD22 ' A' ' 68' ' ' LEU . 32.4 m-85 -151.14 111.03 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HD2' HD11 ' A' ' 77' ' ' LEU . 8.8 ttm180 -71.74 94.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 40' ' ' LEU . 88.2 t -78.38 108.81 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.566 HD11 ' HD2' ' A' ' 75' ' ' ARG . 2.2 mp -106.89 105.84 16.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.749 HG22 ' HG ' ' A' ' 40' ' ' LEU . 3.2 t -107.51 143.61 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -143.28 125.3 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.66 120.62 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.682 HD13 ' CB ' ' A' ' 86' ' ' ARG . 7.1 mm -89.14 145.42 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -139.61 158.85 43.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.26 -51.67 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.57 -52.27 22.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.47 -169.33 32.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.682 ' CB ' HD13 ' A' ' 81' ' ' ILE . 5.3 ptt-85 -115.82 134.89 54.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -63.92 175.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -52.58 -176.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 125.78 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.748 HG23 HD11 ' A' ' 14' ' ' LEU . 5.2 m -95.62 124.46 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 p -90.17 154.81 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.6 136.0 11.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.5 p -106.51 114.78 29.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.36 90.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.67 142.64 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 p -85.47 169.51 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.48 164.37 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.4 t -121.85 137.13 26.83 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.82 105.12 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.5 p -44.3 160.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -121.26 -157.6 10.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 146.48 60.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.234 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.5 t -43.57 -49.88 7.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -106.87 153.32 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.434 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -112.34 155.74 23.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.892 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -49.32 143.0 6.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.16 171.82 25.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 58.1 m -155.55 115.98 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.1 m -37.82 -47.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.53 42.91 0.28 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.541 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 24.6 mtm105 -125.06 115.56 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -120.33 128.95 25.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 155.35 66.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.4 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m -111.86 177.79 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 63.37 37.66 10.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' A' ' 92' ' ' ALA . 11.2 mt -57.1 129.79 43.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 109.28 8.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.0 mp -98.91 117.24 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.37 138.74 50.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -115.33 109.4 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HG3' HG22 ' A' ' 20' ' ' THR . 8.4 pt-20 -111.85 -13.87 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.503 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -148.98 137.04 11.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 111.164 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.73 2.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.435 ' C ' ' HG ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -116.63 -0.9 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.435 ' HG ' ' C ' ' A' ' 22' ' ' ASP . 3.1 m -162.37 154.88 19.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 68' ' ' LEU . 10.1 tp -132.13 130.17 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -84.56 134.74 34.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.014 HG21 HG11 ' A' ' 76' ' ' VAL . 5.9 p -140.81 128.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -132.95 -179.29 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.4 p90 -172.58 172.41 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -94.47 113.95 62.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.29 32.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -168.66 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.1 pt? -98.55 -31.12 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.09 144.99 43.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -64.0 109.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.53 120.34 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 81' ' ' ILE . 38.2 mt -50.75 -65.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -145.44 -178.8 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.526 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 74.7 m-85 -120.56 91.67 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -60.29 101.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.611 HD22 HD21 ' A' ' 65' ' ' LEU . 1.2 tt -94.19 140.1 30.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.649 HG22 ' OG ' ' A' ' 53' ' ' SER . 26.3 p -143.01 105.83 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.661 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.6 p90 -103.26 149.64 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -156.83 162.77 26.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.669 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo -69.8 3.02 3.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 57.91 39.41 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -118.81 -61.47 1.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.25 36.33 2.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.11 -58.78 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.906 0.384 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.0 -175.68 49.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 153.26 69.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -93.47 130.54 39.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -87.4 163.45 16.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.649 ' OG ' HG22 ' A' ' 41' ' ' THR . 6.4 m -160.94 116.35 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.62 133.29 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.9 t -80.1 143.29 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.605 HG13 ' HD2' ' A' ' 57' ' ' PRO . 89.8 t -132.45 137.2 29.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.605 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.83 111.01 2.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.15 -35.7 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.69 -45.26 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.4 ptp180 -105.05 150.01 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -110.3 30.78 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -154.75 153.28 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.621 HG22 ' H ' ' A' ' 64' ' ' THR . 7.9 p -159.99 170.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.621 ' H ' HG22 ' A' ' 63' ' ' VAL . 3.9 m -127.89 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.661 HD22 ' CD1' ' A' ' 42' ' ' TYR . 5.1 mt -109.47 95.78 20.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.81 179.85 3.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.8 54.43 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.561 HD22 ' CE2' ' A' ' 74' ' ' TYR . 38.4 mt -113.89 163.49 15.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 179.81 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.4 146.69 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 58.63 46.88 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.7 m -147.6 143.32 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.563 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 3.6 mppt? -86.54 172.92 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 67.1 m-85 -158.57 116.21 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' NE ' HD11 ' A' ' 77' ' ' LEU . 8.2 ttt180 -72.4 92.3 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.014 HG11 HG21 ' A' ' 26' ' ' VAL . 63.2 t -79.41 92.69 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.446 HD11 ' NE ' ' A' ' 75' ' ' ARG . 3.6 mp -89.51 113.0 24.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.488 HG12 ' HG3' ' A' ' 11' ' ' PRO . 39.3 t -106.34 151.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 p -151.17 130.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.49 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -86.21 121.79 29.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.53 119.12 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 70.0 m-85 -111.87 167.28 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.42 -44.19 62.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.36 -48.39 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.77 178.14 47.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -98.56 138.82 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -73.78 177.24 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.48 -177.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.37 128.93 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.489 HG23 HD11 ' A' ' 14' ' ' LEU . 3.5 m -102.28 124.7 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.2 p -85.07 162.32 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.724 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -166.2 117.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.5 p -93.35 116.43 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.504 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -124.64 95.1 0.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.69 128.53 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.8 p -72.22 176.8 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.03 141.62 37.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.73 161.08 64.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.88 27.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.373 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.6 p -99.08 157.26 16.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.44 -172.81 13.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 103' ' ' SER . 53.5 Cg_endo -69.83 3.12 2.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.313 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 102' ' ' PRO . 26.6 t -34.23 -44.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.8 t -92.26 -60.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.532 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -86.13 121.56 28.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -134.93 120.92 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.56 111.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -84.97 88.25 7.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -128.97 137.89 51.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.24 -59.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.606 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.0 ptt85 -99.78 108.63 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.8 123.95 39.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.24 53.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -131.96 177.21 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 61.19 44.37 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 92' ' ' ALA . 13.0 mt -64.6 130.32 43.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.76 105.33 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.53 HD23 ' HA3' ' A' ' 94' ' ' GLY . 8.5 mp -94.61 112.16 23.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.92 127.43 55.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.0 t -103.81 110.23 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' CG ' HG22 ' A' ' 20' ' ' THR . 13.2 pt-20 -105.39 -23.89 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.501 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -145.98 146.44 28.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.571 0.701 . . . . 0.0 111.142 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.16 3.78 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.24 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -119.76 -6.1 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.1 145.67 28.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 12.3 tp -131.99 116.47 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.92 140.17 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 p -150.0 121.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -124.64 176.64 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -166.82 177.96 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 83.0 m -100.08 117.38 63.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.528 0.68 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 136.06 31.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.55 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.1 tp -93.47 -34.55 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.52 130.64 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -48.57 131.4 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.455 HG11 ' OH ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -123.76 125.68 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.31 -62.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -150.87 -179.93 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' OH ' HG11 ' A' ' 35' ' ' VAL . 39.8 m-85 -121.8 93.87 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.85 97.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 63' ' ' VAL . 1.1 tt -91.11 135.3 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 53' ' ' SER . 18.7 p -134.43 102.74 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.547 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.0 p90 -104.74 142.47 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.762 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -163.58 165.86 13.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.762 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo -69.75 103.15 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.0 154.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 m 63.47 37.16 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.41 -110.86 1.52 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt 40.77 33.72 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 0.0 110.953 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 171.86 167.52 32.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 178.07 4.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.295 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -124.49 109.31 13.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -88.88 179.61 6.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.685 ' HB3' HG22 ' A' ' 41' ' ' THR . 81.1 p -167.55 122.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.79 144.75 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -87.45 150.84 23.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.2 t -146.16 135.05 11.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.7 Cg_endo -69.74 111.95 2.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.84 -36.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.15 -46.45 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -97.27 157.1 16.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -118.56 24.56 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -153.47 151.03 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 40' ' ' LEU . 1.7 p -157.79 161.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.6 m -122.15 139.93 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD22 ' CD1' ' A' ' 42' ' ' TYR . 16.8 mt -102.31 97.34 8.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' C ' ' CG ' ' A' ' 67' ' ' ASP . 54.1 Cg_endo -69.77 -179.47 2.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' CG ' ' C ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 49.34 53.01 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.619 HD22 ' CE2' ' A' ' 74' ' ' TYR . 13.0 mt -107.96 176.34 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -110.31 -174.5 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.82 157.64 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 47.8 52.12 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 m -152.89 144.88 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.442 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.4 mptt -91.5 160.77 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.619 ' CE2' HD22 ' A' ' 68' ' ' LEU . 36.7 m-85 -146.35 105.73 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.801 ' HD3' HD11 ' A' ' 77' ' ' LEU . 4.5 ttt85 -67.98 91.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG13 HD21 ' A' ' 40' ' ' LEU . 53.0 t -78.39 114.54 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.801 HD11 ' HD3' ' A' ' 75' ' ' ARG . 2.5 mp -109.35 106.94 16.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.78 148.62 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -149.69 125.99 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -83.33 123.14 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -92.12 131.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CD2' ' HB3' ' A' ' 8' ' ' ARG . 86.5 m-85 -126.27 154.91 42.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.32 -43.38 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.5 -52.44 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.5 164.06 33.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -86.25 134.45 33.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.2 p -69.98 173.75 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.95 169.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.49 139.62 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.66 118.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 p -84.3 156.95 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -164.74 120.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 p -93.0 119.32 32.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.53 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -129.24 91.83 0.32 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -52.5 134.87 34.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 p -74.35 -176.82 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.443 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -84.83 158.85 20.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 29.8 p -99.51 151.15 37.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.1 Cg_endo -69.73 -28.3 25.54 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' PRO . 28.8 t -35.22 -46.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.72 146.09 10.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.74 28.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.7 p -125.46 162.25 25.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.3 t -124.1 -61.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -58.24 -62.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -64.87 129.78 41.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.38 49.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -64.72 99.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.356 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -82.82 139.8 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.93 33.83 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.542 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 27.0 mtm105 -125.94 93.51 3.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -101.47 114.31 65.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.718 0.771 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 159.0 55.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.81 126.69 13.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.83 177.25 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.12 36.32 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.648 HD11 HG23 ' A' ' 90' ' ' VAL . 12.0 mt -61.24 130.19 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.27 120.9 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 mp -102.27 117.87 35.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 124.51 52.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.744 ' HA ' HD12 ' A' ' 24' ' ' LEU . 20.1 t -97.5 122.24 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.559 ' CG ' HG22 ' A' ' 20' ' ' THR . 5.6 pt-20 -115.46 -26.42 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.559 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -149.45 146.34 20.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' LEU . 53.5 Cg_endo -69.8 4.01 2.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.5 -22.54 12.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.521 ' HB2' HG22 ' A' ' 64' ' ' THR . 71.3 p -151.51 156.87 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 18' ' ' SER . 5.7 tp -131.1 134.89 47.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -85.88 142.43 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 63' ' ' VAL . 6.2 p -143.43 135.49 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -133.8 170.05 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.427 ' HB3' HD23 ' A' ' 14' ' ' LEU . 28.3 p90 -168.68 162.42 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.3 m -88.82 117.1 67.95 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.586 0.708 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 136.78 34.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -168.78 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tp -99.68 -39.91 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.96 155.4 4.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 99.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 38' ' ' TYR . 1.2 p -99.11 133.02 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.34 -56.44 4.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.949 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.555 ' CE1' HG21 ' A' ' 81' ' ' ILE . 14.9 p-80 -146.73 176.03 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 35' ' ' VAL . 34.4 m-85 -120.79 94.16 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -62.6 94.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.663 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.7 tt -89.48 140.08 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.495 HG22 ' OG ' ' A' ' 53' ' ' SER . 1.7 p -139.1 106.66 5.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.841 ' CD2' HD22 ' A' ' 65' ' ' LEU . 30.0 p90 -105.99 147.54 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.688 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -171.28 163.27 5.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.688 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.7 Cg_endo -69.82 99.9 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.36 -41.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -42.0 -59.82 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.24 54.74 1.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.57 20.75 11.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -176.07 -171.3 39.74 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 174.65 9.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.29 157.03 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -110.03 177.27 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.495 ' OG ' HG22 ' A' ' 41' ' ' THR . 2.4 m -166.22 123.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.23 142.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 t -85.55 149.48 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.513 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.0 t -130.08 137.24 30.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.513 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 53.2 Cg_endo -69.83 -0.67 7.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.38 -48.83 1.87 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.81 -41.72 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HD3' ' CG ' ' A' ' 57' ' ' PRO . 13.4 ptt180 -94.42 135.17 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -96.15 32.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -159.68 159.97 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.663 ' CG1' HD13 ' A' ' 40' ' ' LEU . 8.3 p -166.18 147.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 23' ' ' SER . 2.3 m -100.01 136.55 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.841 HD22 ' CD2' ' A' ' 42' ' ' TYR . 7.6 mt -104.24 94.65 7.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.77 175.78 7.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.372 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.21 55.0 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD22 ' CE2' ' A' ' 74' ' ' TYR . 29.2 mt -115.97 160.48 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.8 -176.96 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.497 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . . . -110.16 149.97 29.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 55.5 48.4 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -150.99 143.09 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.1 mppt? -86.74 170.19 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.549 ' CE2' HD22 ' A' ' 68' ' ' LEU . 59.9 m-85 -155.96 106.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.02 103.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 26' ' ' VAL . 16.6 t -89.83 113.25 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mp -108.32 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG22 ' HG ' ' A' ' 40' ' ' LEU . 12.8 t -111.83 158.94 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 9.6 m -158.06 128.18 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.537 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -79.46 125.34 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.647 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.29 120.33 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.417 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 61.2 m-85 -113.33 162.33 16.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.93 -48.56 11.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.96 -57.53 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.53 168.95 41.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -88.3 142.58 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.6 p -75.94 177.03 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.72 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.08 125.04 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.648 HG23 HD11 ' A' ' 14' ' ' LEU . 3.3 m -99.41 123.61 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -95.68 153.47 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.61 144.91 18.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.3 p -107.94 136.32 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.57 92.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -49.36 141.52 8.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.5 p -84.15 -178.6 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -86.62 145.96 26.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.459 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 16.5 t -107.74 138.3 19.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 70' ' ' ALA . 53.9 Cg_endo -69.72 93.34 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.9 t -117.09 -53.57 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.79 160.17 27.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 103' ' ' SER . 53.3 Cg_endo -69.78 2.84 3.18 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 102' ' ' PRO . 4.7 t -34.86 -61.59 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.6 m -38.77 154.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 90.9 p 37.49 41.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -99.5 -51.54 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.26 -127.28 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -63.08 149.54 44.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.384 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.6 p -92.16 79.86 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.22 -175.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.511 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 45.9 mtm180 -69.82 130.07 41.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -114.72 120.01 38.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.735 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 160.16 50.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.76 127.02 14.0 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -117.86 177.53 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 62.21 34.99 15.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 90' ' ' VAL . 13.5 mt -61.51 130.35 45.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.31 117.01 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 24' ' ' LEU . 9.1 mp -98.85 117.7 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.04 131.3 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -104.38 122.22 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.1 -3.73 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 22' ' ' ASP . 3.4 t -175.56 145.25 0.81 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.537 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 53.6 Cg_endo -69.76 18.56 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.8 p30 -128.17 -11.18 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -151.17 153.81 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 16' ' ' LEU . 11.2 tp -137.06 111.5 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.1 tp-100 -66.96 145.23 55.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG21 HG11 ' A' ' 76' ' ' VAL . 4.1 p -150.19 131.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.4 t -134.35 -178.76 5.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -175.19 -177.91 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -110.14 118.17 50.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 138.69 38.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.624 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.0 pt? -98.03 -29.97 12.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.81 147.85 50.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.518 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.36 106.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.35 131.54 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.55 -62.62 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.45 ' CE1' HG21 ' A' ' 81' ' ' ILE . 17.9 p-80 -143.51 -175.5 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -127.31 94.34 3.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.72 100.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.6 tt -93.63 140.83 29.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.754 HG22 ' OG ' ' A' ' 53' ' ' SER . 9.6 p -145.78 105.18 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.488 ' CZ ' ' CB ' ' A' ' 52' ' ' LYS . 51.8 p90 -98.85 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.651 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -169.54 162.34 7.21 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.651 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo -69.74 91.05 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . . . -34.33 -42.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -55.8 -51.49 67.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' PRO . . . 113.04 45.84 0.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -130.62 43.33 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -179.63 167.35 37.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 177.69 5.32 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -105.81 108.89 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 64.7 mmtt -83.53 172.79 12.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.754 ' OG ' HG22 ' A' ' 41' ' ' THR . 14.4 m -161.25 136.84 7.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.96 161.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.8 p -102.35 154.76 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.8 t -142.63 131.64 11.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' GLY . 53.2 Cg_endo -69.78 112.97 3.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.23 -36.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.51 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -103.95 157.92 16.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -115.3 16.41 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -142.03 159.61 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 ' H ' ' A' ' 64' ' ' THR . 1.5 p -161.9 -179.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.736 ' H ' HG22 ' A' ' 63' ' ' VAL . 2.3 m -134.29 135.82 43.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 42' ' ' TYR . 17.3 mt -103.24 95.85 7.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.76 177.51 5.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 54.6 54.3 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.9 mt -112.83 160.01 18.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -85.65 -174.85 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . . . -115.72 150.45 36.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.87 40.0 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -153.22 112.93 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.74 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -64.09 177.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 29.8 m-85 -148.91 111.18 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' ALA . 16.2 ttm180 -57.45 100.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.522 HG11 HG21 ' A' ' 26' ' ' VAL . 40.9 t -86.34 116.27 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -112.79 107.06 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.502 HG22 ' HG ' ' A' ' 40' ' ' LEU . 11.8 t -105.3 147.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.44 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -146.73 124.47 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.507 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.8 127.52 32.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.32 131.71 44.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 8' ' ' ARG . 78.1 m-85 -122.55 163.76 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.46 -44.79 25.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.97 -50.13 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.36 -176.4 41.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -105.39 141.55 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.9 p -74.78 173.18 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.95 178.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.69 134.68 54.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.697 HG23 HD11 ' A' ' 14' ' ' LEU . 3.8 m -105.31 119.78 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -156.75 127.78 6.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.7 p -99.0 128.95 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -140.93 95.99 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.448 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 48.2 tt0 -50.46 136.61 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -178.77 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.43 169.56 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.72 151.89 43.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.94 1.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.3 t -45.01 -49.17 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.6 144.72 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -22.1 32.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.6 m -92.36 156.37 17.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.4 m -128.02 100.42 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -55.64 156.75 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -154.01 152.73 30.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.31 -74.74 0.74 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -63.5 164.43 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -71.34 146.04 49.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.26 -72.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 64.3 mtm180 -88.31 120.48 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -131.04 120.8 18.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 127.22 14.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.704 2.27 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.51 175.42 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 62.49 42.38 8.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 92' ' ' ALA . 12.3 mt -63.55 129.8 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 105.93 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.063 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.63 HD23 HD21 ' A' ' 24' ' ' LEU . 9.2 mp -91.07 116.03 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.89 125.76 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 t -98.99 123.78 43.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 20' ' ' THR . 11.5 pt-20 -116.2 -27.58 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.576 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -145.91 147.22 31.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.116 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 4.62 2.09 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -120.68 -3.36 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -155.23 150.74 27.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.63 HD21 HD23 ' A' ' 16' ' ' LEU . 6.8 tp -133.96 121.59 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.01 139.61 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.408 HG21 HG11 ' A' ' 76' ' ' VAL . 2.8 p -142.68 125.26 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 p -125.42 169.11 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CH2' HD12 ' A' ' 40' ' ' LEU . 30.7 p90 -166.23 172.08 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.8 m -95.46 115.35 65.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.46 21.3 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -173.09 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -97.55 -43.73 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.44 138.23 18.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 102.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 81' ' ' ILE . 3.4 p -106.99 112.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.6 -68.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -139.2 162.64 34.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.519 ' OH ' HG11 ' A' ' 35' ' ' VAL . 96.9 m-85 -105.69 91.81 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -58.32 106.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.782 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.1 tt -100.04 132.7 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 53' ' ' SER . 2.0 p -131.72 91.91 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.912 ' CD2' HD22 ' A' ' 65' ' ' LEU . 26.7 p90 -90.93 140.8 29.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -168.47 168.88 5.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.8 128.47 16.04 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.75 -71.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 m -96.89 11.78 34.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' HA3' ' HB2' ' A' ' 44' ' ' PRO . . . -41.15 -32.11 0.6 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mt 45.34 46.56 10.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 50' ' ' PRO . . . -157.84 -133.24 1.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 49' ' ' GLY . 53.5 Cg_endo -69.76 165.55 30.59 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.7 169.28 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 25.3 mmtm -132.51 163.16 29.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.619 ' HB3' HG22 ' A' ' 41' ' ' THR . 73.3 p -156.71 152.62 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.8 148.63 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.2 p -90.65 141.43 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -135.5 125.5 16.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' GLY . 54.1 Cg_endo -69.74 119.41 6.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.401 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.57 -38.71 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.27 -44.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -104.71 156.54 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -117.56 35.92 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -165.91 166.56 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.535 ' CG1' HD13 ' A' ' 40' ' ' LEU . 3.7 p -170.56 152.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -103.06 135.53 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.912 HD22 ' CD2' ' A' ' 42' ' ' TYR . 12.0 mt -103.62 94.72 6.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.2 Cg_endo -69.77 -179.38 2.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.74 55.02 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.652 HD22 ' CE2' ' A' ' 74' ' ' TYR . 19.4 mt -115.06 162.86 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -100.09 -175.8 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.52 146.68 40.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 59.35 50.99 7.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.0 m -157.29 131.18 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 2.4 mppt? -79.84 154.05 28.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.652 ' CE2' HD22 ' A' ' 68' ' ' LEU . 20.0 m-85 -134.91 98.18 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' ALA . 2.6 ttm180 -53.68 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG2' HD21 ' A' ' 16' ' ' LEU . 73.4 t -80.5 118.75 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.16 107.84 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.782 HG22 ' HG ' ' A' ' 40' ' ' LEU . 46.9 t -107.52 146.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m -144.55 120.45 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.1 121.08 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 86' ' ' ARG . 18.8 mm -88.02 143.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 58.7 m-85 -136.17 159.73 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.12 -48.74 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.83 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.58 -164.42 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.584 ' HB3' HD13 ' A' ' 81' ' ' ILE . 2.8 ptt180 -119.38 137.1 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.3 p -64.33 171.32 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -50.39 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.58 119.78 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 m -95.72 129.06 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.8 p -90.22 161.85 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -163.25 125.85 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 p -98.47 123.77 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -135.25 98.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.52 135.31 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 p -77.35 -178.76 5.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.88 124.23 32.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.21 161.49 3.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.724 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.8 Cg_endo -69.71 2.74 3.23 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 99' ' ' PRO . 1.1 t -34.44 -56.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.13 146.14 5.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.61 7.16 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.7 t -90.81 88.33 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.7 m -91.15 81.72 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.53 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.554 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 81.4 mtm180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -118.45 122.71 29.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 158.45 56.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.435 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.73 126.89 13.86 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -119.38 178.05 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 64.28 34.6 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 90' ' ' VAL . 11.6 mt -57.57 131.41 50.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.82 109.76 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.79 112.02 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.13 126.44 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' HD12 ' A' ' 24' ' ' LEU . 8.6 t -102.54 114.79 29.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.07 -20.34 13.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.5 146.92 20.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.131 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.19 2.93 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.293 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.5 -10.28 11.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -149.04 155.44 40.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 18' ' ' SER . 5.9 tp -137.04 119.14 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.4 142.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.466 HG21 HG11 ' A' ' 76' ' ' VAL . 2.5 p -150.39 129.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 t -132.85 -177.1 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 p90 -174.03 167.77 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 53.7 m -94.25 108.73 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.6 Cg_endo -69.79 142.88 48.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -178.05 2.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.8 pt? -86.79 -29.66 22.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 156.57 52.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 34' ' ' ARG . 1.8 tmm_? -72.2 121.72 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.785 HG11 ' CE1' ' A' ' 38' ' ' TYR . 44.8 t -110.13 124.98 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.17 -61.94 2.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.599 ' NE2' HG21 ' A' ' 81' ' ' ILE . 6.1 p80 -148.55 170.35 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.785 ' CE1' HG11 ' A' ' 35' ' ' VAL . 18.2 m-85 -115.87 102.96 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -74.14 100.27 3.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD21 HG13 ' A' ' 76' ' ' VAL . 1.4 tt -94.31 135.01 36.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 p -134.98 89.35 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.477 ' CD1' HD22 ' A' ' 65' ' ' LEU . 34.0 p90 -92.57 155.6 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -172.7 168.57 2.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.752 0.311 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.0 p -169.84 137.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG21 ' CD2' ' A' ' 65' ' ' LEU . 22.3 m -134.94 133.47 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -79.12 153.09 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.669 HG13 ' HD2' ' A' ' 57' ' ' PRO . 93.3 t -148.08 138.83 13.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.669 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.9 Cg_endo -69.71 109.01 2.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.92 -29.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -45.88 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -102.39 151.57 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 20.3 p -109.8 35.93 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -159.66 162.07 35.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 40' ' ' LEU . 7.2 p -169.41 146.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -105.56 134.18 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 42' ' ' TYR . 13.3 mt -104.05 95.17 7.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.8 179.82 3.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.305 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.24 50.52 13.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 24' ' ' LEU . 23.9 mt -108.98 163.75 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -94.77 -175.48 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.26 158.1 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 40.91 51.26 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -158.35 116.22 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -70.37 176.55 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 32.2 m-85 -149.46 125.46 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -73.25 92.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.648 HG13 HD21 ' A' ' 40' ' ' LEU . 80.6 t -81.36 114.87 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp -111.84 106.87 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -101.24 154.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.18 128.78 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.491 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -83.14 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.599 HG21 ' NE2' ' A' ' 37' ' ' HIS . 1.0 OUTLIER -97.14 128.25 48.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 79.4 m-85 -119.65 171.15 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.08 -44.95 75.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.79 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.57 178.38 44.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -100.52 142.9 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.5 p -76.49 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -52.12 -179.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.32 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.545 HG23 HD11 ' A' ' 14' ' ' LEU . 3.3 m -107.76 117.86 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -88.94 153.85 20.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.2 115.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.0 p -90.97 130.14 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.27 108.42 0.67 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -55.36 132.57 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 179.76 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 53.4 mtm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.6 t -126.6 120.92 23.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.902 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 159.02 55.0 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.398 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.68 ' O ' HG21 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.76 121.62 8.31 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -114.88 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD11 HG23 ' A' ' 90' ' ' VAL . 11.7 mt -66.98 120.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.32 100.45 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.503 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.3 mp -79.55 114.64 18.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.95 121.68 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.5 t -96.2 118.0 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -108.39 -32.26 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.34 146.53 45.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.34 0.27 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.28 146.44 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.7 tp -126.28 126.6 44.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.69 141.34 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 63' ' ' VAL . 1.3 p -138.35 127.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -128.08 137.65 52.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CE2' ' O ' ' A' ' 61' ' ' SER . 47.0 p90 -134.34 172.59 12.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.5 m -102.73 112.02 65.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.55 40.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -171.27 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.1 tm? -89.4 -49.82 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.91 164.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.468 HH12 ' HB2' ' A' ' 83' ' ' ALA . 5.8 tmm_? -83.22 114.58 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG22 ' CE1' ' A' ' 82' ' ' TYR . 61.7 t -107.76 124.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' NH1' ' A' ' 34' ' ' ARG . 18.6 mt -62.77 -65.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.577 ' CE1' HG12 ' A' ' 81' ' ' ILE . 8.4 p80 -141.33 167.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -113.5 100.75 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -73.61 101.31 3.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.791 HD21 HG13 ' A' ' 76' ' ' VAL . 1.3 tt -96.15 135.22 38.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' HB3' ' A' ' 53' ' ' SER . 5.6 p -135.16 104.88 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.956 ' CD1' HD22 ' A' ' 65' ' ' LEU . 50.5 p90 -98.15 142.84 29.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.33 152.79 31.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 69.2 mmtt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.796 0.331 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.605 ' HB3' HG22 ' A' ' 41' ' ' THR . 97.4 p -144.08 133.16 22.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.441 HG13 ' HE1' ' A' ' 42' ' ' TYR . 28.8 m -125.04 133.58 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -79.7 144.47 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 57' ' ' PRO . 79.5 t -138.81 136.46 18.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 111.088 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.1 Cg_endo -69.81 119.79 6.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.627 2.218 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -42.31 -37.49 2.46 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.29 -44.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.503 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.8 ptp180 -107.15 160.7 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.439 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 51.8 p -123.96 31.51 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.3 m80 -151.09 148.68 28.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.573 ' CG1' HD13 ' A' ' 40' ' ' LEU . 5.2 p -163.02 152.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 m -105.24 144.73 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.956 HD22 ' CD1' ' A' ' 42' ' ' TYR . 9.3 mt -109.23 94.89 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.78 178.63 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 58.11 53.84 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 20.9 mt -117.82 168.26 10.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -105.59 -178.41 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.75 159.39 15.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 44.43 47.84 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -155.01 112.0 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -69.17 175.55 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 38.2 m-85 -152.58 123.82 7.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.52 96.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.791 HG13 HD21 ' A' ' 40' ' ' LEU . 92.8 t -85.38 116.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.22 109.22 20.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.618 HG22 ' HG ' ' A' ' 40' ' ' LEU . 9.8 t -108.6 137.19 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 41.9 m -138.66 128.24 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.536 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.5 131.53 37.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.611 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -99.27 134.17 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.7 ' CE1' HG22 ' A' ' 35' ' ' VAL . 95.9 m-85 -125.87 162.17 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.468 ' HB2' HH12 ' A' ' 34' ' ' ARG . . . -47.11 -45.09 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.25 -54.59 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' CD ' ' A' ' 8' ' ' ARG . . . -172.76 165.0 37.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -83.79 145.56 28.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -79.97 174.48 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.22 175.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.66 128.93 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.68 HG21 ' O ' ' A' ' 11' ' ' PRO . 8.4 m -99.85 127.22 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 p -87.89 159.62 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.95 117.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 p -95.79 124.23 39.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.503 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -132.58 107.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -58.81 128.32 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -67.63 177.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.44 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.562 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 46.6 mtm180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 t -129.47 119.69 19.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 158.14 58.03 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.2 Cg_endo -69.82 123.91 10.55 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -114.79 178.05 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 63.46 37.56 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 90' ' ' VAL . 13.4 mt -61.74 126.48 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.65 109.04 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.604 HD23 HD21 ' A' ' 24' ' ' LEU . 8.4 mp -94.1 115.19 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.85 128.33 56.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 12.4 t -102.78 118.09 36.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.486 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.2 pt-20 -114.45 -20.54 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.486 HG22 ' CG ' ' A' ' 19' ' ' GLU . 1.4 t -155.86 145.41 15.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.551 0.691 . . . . 0.0 111.184 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.545 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.72 5.77 1.56 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -110.33 -16.27 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.452 ' HB2' HG22 ' A' ' 64' ' ' THR . 99.4 p -153.87 157.93 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD21 HD23 ' A' ' 16' ' ' LEU . 5.9 tp -134.3 119.72 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.3 tp-100 -72.09 141.65 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.634 HG21 HG11 ' A' ' 76' ' ' VAL . 7.4 p -148.7 128.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -133.23 172.09 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CH2' HD12 ' A' ' 40' ' ' LEU . 29.9 p90 -164.42 178.32 7.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 m -104.28 115.58 62.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 140.5 42.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -164.36 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.4 pt? -104.36 -28.52 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.3 145.49 40.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 115.54 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.697 HG22 ' CE1' ' A' ' 82' ' ' TYR . 88.9 t -109.68 120.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 mt -62.99 -61.53 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.53 ' CE1' HG12 ' A' ' 81' ' ' ILE . 5.3 p80 -146.67 169.44 19.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 51.9 m-85 -115.21 99.77 7.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -69.01 101.27 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.601 HD22 HD21 ' A' ' 65' ' ' LEU . 1.3 tt -98.53 136.42 38.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 53' ' ' SER . 2.9 p -139.05 105.68 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.691 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.1 p90 -98.78 151.3 20.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.867 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -150.36 169.11 9.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.867 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 18.8 mmtp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.431 ' HB3' HG22 ' A' ' 41' ' ' THR . 78.8 p -145.65 147.75 32.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.454 HG13 ' HE1' ' A' ' 42' ' ' TYR . 24.8 m -143.2 147.22 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -93.11 148.04 22.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 57' ' ' PRO . 88.8 t -139.4 138.62 20.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.2 Cg_endo -69.78 108.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.632 2.221 . . . . 0.0 112.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -36.71 -30.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -46.19 -47.56 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 111.068 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.506 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.1 ptp180 -100.34 165.95 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 p -125.04 25.87 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -150.01 149.87 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.623 HG22 ' H ' ' A' ' 64' ' ' THR . 1.9 p -158.8 173.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.623 ' H ' HG22 ' A' ' 63' ' ' VAL . 3.1 m -129.24 135.91 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.691 HD22 ' CD1' ' A' ' 42' ' ' TYR . 10.4 mt -104.13 95.24 7.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.71 177.31 5.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.258 . . . . 0.0 112.337 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.1 t0 61.35 54.83 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 15.7 mt -114.0 176.71 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -111.73 -174.95 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 21' ' ' PRO . . . -115.23 132.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . 72.24 45.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.5 m -158.52 106.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -57.85 178.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 51.8 m-85 -154.48 120.05 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.71 ' HD3' HD11 ' A' ' 77' ' ' LEU . 12.3 ttt180 -69.95 99.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.634 HG11 HG21 ' A' ' 26' ' ' VAL . 89.6 t -88.16 113.57 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.71 HD11 ' HD3' ' A' ' 75' ' ' ARG . 4.3 mp -104.54 117.05 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.615 HG12 ' HG3' ' A' ' 11' ' ' PRO . 7.7 t -116.52 133.97 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 51.0 m -136.85 124.22 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -76.12 127.21 32.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.587 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -92.91 149.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.697 ' CE1' HG22 ' A' ' 35' ' ' VAL . 85.5 m-85 -142.92 161.23 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.38 -48.97 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.0 -55.28 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.1 38.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.2 ptt85 -85.86 145.09 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.1 p -76.77 175.4 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.15 176.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.54 131.6 56.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.545 HG23 HD11 ' A' ' 14' ' ' LEU . 3.7 m -104.1 120.74 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -89.04 154.33 20.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -160.96 116.76 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.2 p -90.99 125.56 35.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -130.72 107.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.06 126.15 24.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -71.95 -179.83 2.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 23.9 mtm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -117.33 116.04 37.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.76 55.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.616 2.211 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.524 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.78 124.83 11.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -117.99 178.14 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 62.67 38.36 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD11 HG23 ' A' ' 90' ' ' VAL . 11.2 mt -63.43 121.57 14.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.3 103.72 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.55 HD23 HD21 ' A' ' 24' ' ' LEU . 8.5 mp -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.86 128.31 56.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.9 t -102.64 114.97 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.578 ' CG ' HG22 ' A' ' 20' ' ' THR . 4.9 pt-20 -108.42 -30.51 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.578 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -141.71 144.47 33.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.37 2.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.296 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.18 -4.41 12.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' THR . 4.9 m -157.76 153.83 27.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD21 HD23 ' A' ' 16' ' ' LEU . 7.4 tp -133.01 120.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -81.9 139.41 34.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.1 p -143.22 126.61 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -123.58 169.94 10.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.73 171.29 15.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 m -96.28 105.66 23.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.62 30.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.89 3.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -85.32 -46.0 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.84 156.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -73.08 111.06 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' CE1' ' A' ' 38' ' ' TYR . 53.0 t -106.64 105.46 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -48.7 -66.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.58 ' CE1' HG12 ' A' ' 81' ' ' ILE . 7.7 p80 -140.52 161.56 37.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.66 ' CE1' HG11 ' A' ' 35' ' ' VAL . 62.0 m-85 -110.02 95.75 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -61.64 99.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.605 HD13 HG11 ' A' ' 63' ' ' VAL . 1.4 tt -94.18 146.13 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.594 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.8 p -152.25 105.14 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.566 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.5 p90 -95.63 156.47 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.793 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -156.21 166.88 15.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.577 0.703 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.793 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 40.6 mmtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.594 ' HB3' HG22 ' A' ' 41' ' ' THR . 84.5 p -163.46 127.68 2.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.3 m -126.94 140.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.4 t -85.33 144.82 27.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.555 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.7 t -132.38 135.79 26.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.555 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.84 110.26 2.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.36 -33.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -42.19 -48.94 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -103.33 152.8 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -111.13 33.64 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -162.68 153.24 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.605 HG11 HD13 ' A' ' 40' ' ' LEU . 7.6 p -159.05 151.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.8 m -100.61 137.91 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 42' ' ' TYR . 22.8 mt -107.4 96.29 15.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.86 179.93 3.4 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.616 2.211 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 57.51 51.79 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.603 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 13.0 mt -112.52 163.21 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -98.27 -179.09 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.48 143.52 38.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 61.1 42.39 12.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 88.1 m -152.03 105.21 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CD ' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -56.83 173.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.603 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 46.2 m-85 -151.96 114.45 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -70.18 104.91 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 HD21 ' A' ' 40' ' ' LEU . 88.9 t -87.94 117.36 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mp -106.22 114.18 28.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.5 t -114.17 151.72 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.508 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 45.1 m -155.4 124.5 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.521 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -75.18 128.41 35.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.592 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -99.05 125.2 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CE1' HG22 ' A' ' 35' ' ' VAL . 61.0 m-85 -118.87 165.3 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.45 -48.21 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -51.79 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.58 169.21 41.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -88.79 143.58 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.8 p -75.02 174.04 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -52.94 170.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.23 123.94 49.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 11' ' ' PRO . 15.1 m -97.59 127.68 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 p -94.03 157.03 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.18 114.44 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -90.85 136.55 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.432 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -141.64 107.08 0.49 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.52 133.61 55.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -76.58 -178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.83 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.4 mtm-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.821 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -123.68 123.46 26.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 155.55 65.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.498 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.9 Cg_endo -69.75 126.7 13.62 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.707 2.271 . . . . 0.0 112.383 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.8 m -115.33 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 63.14 34.56 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.717 HD11 HG23 ' A' ' 90' ' ' VAL . 12.4 mt -59.4 128.01 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.2 112.19 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 24' ' ' LEU . 9.2 mp -94.92 114.28 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.11 130.83 56.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 21.2 t -102.78 121.61 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 20' ' ' THR . 9.8 pt-20 -117.77 -21.42 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -150.3 144.48 17.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 2.77 3.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -2.54 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.594 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -160.28 152.17 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.707 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.9 tp -131.49 128.56 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.38 145.25 30.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 76' ' ' VAL . 2.6 p -147.82 133.4 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.9 p -134.56 169.51 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 61' ' ' SER . 35.2 p90 -165.04 174.88 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 m -100.2 115.68 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.542 0.686 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.76 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -164.13 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.4 pt? -101.1 -30.78 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.75 156.16 53.4 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -67.27 114.21 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.82 HG11 ' CE1' ' A' ' 38' ' ' TYR . 90.8 t -107.37 104.45 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 mt -51.04 -62.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.0 p80 -146.6 152.29 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.82 ' CE1' HG11 ' A' ' 35' ' ' VAL . 83.5 m-85 -100.44 94.57 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.428 ' HB2' HD11 ' A' ' 81' ' ' ILE . 26.3 t-105 -59.1 106.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.662 HD22 HD21 ' A' ' 65' ' ' LEU . 1.4 tt -100.28 146.38 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 53' ' ' SER . 6.7 p -152.66 104.99 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.486 ' CD1' HD22 ' A' ' 65' ' ' LEU . 47.1 p90 -94.77 166.27 12.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -169.57 168.8 4.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.076 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 46.9 mmtt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.512 ' HB3' HG22 ' A' ' 41' ' ' THR . 93.3 p -168.53 134.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.18 133.58 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.7 t -78.29 134.05 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.45 126.55 24.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 125.1 11.71 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -40.54 -37.73 1.3 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.82 -46.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -106.92 151.88 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 10.9 t -108.18 16.34 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -152.28 163.02 40.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 p -166.02 158.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -102.47 145.06 30.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.662 HD21 HD22 ' A' ' 40' ' ' LEU . 9.1 mt -116.02 94.92 43.13 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 179.13 3.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.291 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.61 52.04 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 24' ' ' LEU . 21.7 mt -107.89 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -105.16 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.46 143.89 35.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 43.39 50.01 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.8 m -151.27 104.98 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' C ' ' HD2' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -50.75 174.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' CE1' HD22 ' A' ' 68' ' ' LEU . 34.4 m-85 -153.68 114.14 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.43 102.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 26' ' ' VAL . 59.2 t -92.33 105.71 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.95 109.34 22.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.28 138.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 m -134.84 129.34 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.12 121.04 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.751 HD13 ' HB3' ' A' ' 86' ' ' ARG . 14.2 mm -90.74 146.24 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.61 ' CE1' HG22 ' A' ' 35' ' ' VAL . 67.3 m-85 -139.7 164.42 29.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.57 -50.26 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.63 -53.3 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -163.98 -160.53 11.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.751 ' HB3' HD13 ' A' ' 81' ' ' ILE . 4.6 ptt180 -122.8 142.87 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -71.16 174.44 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -53.96 -177.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.7 130.7 55.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.717 HG23 HD11 ' A' ' 14' ' ' LEU . 5.1 m -105.18 125.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 p -90.42 159.44 16.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.67 113.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.5 p -89.61 137.61 32.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.42 103.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -51.58 130.35 27.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -76.3 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 56.6 mtm-85 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -142.76 120.85 7.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 161.79 44.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.53 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.84 130.33 19.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -119.78 178.08 4.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 64.54 36.8 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 92' ' ' ALA . 16.5 mt -60.09 130.4 46.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.01 97.93 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 mp -85.79 115.79 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.75 135.35 54.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -110.8 112.32 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -108.25 -31.93 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.9 147.0 57.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -122.07 1.9 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.61 151.76 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.515 ' C ' HG23 ' A' ' 64' ' ' THR . 6.2 tp -137.87 115.53 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.597 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.9 tp-100 -68.18 140.95 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.82 HG21 HG11 ' A' ' 76' ' ' VAL . 2.4 p -147.59 115.13 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -122.78 169.99 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CH2' HD12 ' A' ' 40' ' ' LEU . 39.1 p90 -165.23 174.15 10.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -105.34 118.92 54.54 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.5 Cg_endo -69.78 142.5 48.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.6 pt? -93.52 -25.87 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.59 149.64 43.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' NE ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -67.75 110.15 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.734 HG22 ' CE1' ' A' ' 82' ' ' TYR . 62.6 t -101.51 120.07 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' NE ' ' A' ' 34' ' ' ARG . 53.7 mt -63.36 -67.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.543 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.1 p80 -136.31 151.66 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CE1' HG11 ' A' ' 35' ' ' VAL . 32.0 m-85 -99.7 97.86 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -70.23 99.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.713 HD13 HG11 ' A' ' 63' ' ' VAL . 1.8 tt -96.29 133.52 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.716 HG22 ' HB3' ' A' ' 53' ' ' SER . 17.1 p -135.88 104.22 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.808 ' CD1' HD22 ' A' ' 65' ' ' LEU . 45.4 p90 -96.82 164.81 12.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.857 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -162.28 168.97 9.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.857 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.26 . . . . 0.0 112.388 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 22.8 mmtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.758 0.313 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.716 ' HB3' HG22 ' A' ' 41' ' ' THR . 52.0 p -161.05 115.23 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 54' ' ' VAL . 33.5 m -109.35 127.5 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.3 t -76.18 139.72 41.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.583 HG13 ' HD2' ' A' ' 57' ' ' PRO . 98.3 t -134.45 136.78 26.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.583 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.388 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -42.32 -30.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.71 -45.12 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -107.72 150.55 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.451 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 35.6 p -115.93 26.72 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.51 ' CD2' ' N ' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -141.02 144.12 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 40' ' ' LEU . 1.8 p -160.89 168.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.515 HG23 ' C ' ' A' ' 24' ' ' LEU . 7.8 m -132.92 144.71 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.808 HD22 ' CD1' ' A' ' 42' ' ' TYR . 14.4 mt -103.13 95.92 7.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.82 179.8 3.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.285 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 t0 50.96 54.95 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.674 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 14.0 mt -110.29 -176.44 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -114.05 -175.08 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.56 150.16 30.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.39 52.39 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.1 m -162.67 105.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -58.38 172.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.674 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 27.4 m-85 -147.05 109.12 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -60.89 99.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 26' ' ' VAL . 79.8 t -87.65 109.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -102.26 109.35 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.542 HG22 ' HG ' ' A' ' 40' ' ' LEU . 17.6 t -106.8 143.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -141.33 132.48 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.18 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' A' ' 86' ' ' ARG . 8.8 mm -90.55 134.5 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.734 ' CE1' HG22 ' A' ' 35' ' ' VAL . 90.0 m-85 -128.54 165.88 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.47 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.01 -50.96 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.35 -168.75 32.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.647 ' HB3' HD13 ' A' ' 81' ' ' ILE . 9.6 ptt180 -115.21 138.55 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.6 p -66.63 176.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.0 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.59 121.75 40.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 11' ' ' PRO . 9.4 m -95.18 123.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 p -89.74 160.42 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -169.6 119.07 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.3 p -96.98 129.05 44.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -132.13 90.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -40.41 134.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.427 HG22 HD13 ' A' ' 24' ' ' LEU . 18.7 p -79.46 -175.53 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.46 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 32.8 mtt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -112.75 119.85 42.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 158.49 56.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.7 140.28 42.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -131.12 177.6 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.33 37.29 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 92' ' ' ALA . 11.7 mt -62.29 126.58 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.03 106.29 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.587 HD23 HD21 ' A' ' 24' ' ' LEU . 8.3 mp -89.72 114.48 26.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.91 121.34 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.8 t -98.7 116.5 31.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' A' ' 20' ' ' THR . 5.1 pt-20 -111.68 -26.55 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.565 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -144.62 144.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 53.2 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.22 -0.45 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -159.34 146.11 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.614 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.2 tp -130.01 119.68 23.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -77.94 137.15 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.589 HG21 HG11 ' A' ' 76' ' ' VAL . 2.8 p -140.98 125.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.8 p -127.61 161.89 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.408 ' CH2' HD12 ' A' ' 40' ' ' LEU . 42.1 p90 -157.34 170.78 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.7 m -93.68 113.41 60.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.2 Cg_endo -69.83 137.97 36.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -175.31 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.3 tm? -95.96 -42.58 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.15 137.72 40.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -55.85 102.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.79 124.3 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD12 HG22 ' A' ' 81' ' ' ILE . 23.1 mt -55.21 -65.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -146.76 176.46 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 42.4 m-85 -116.89 101.71 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -71.11 103.17 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.618 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.3 tt -97.48 134.39 40.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.735 HG22 ' OG ' ' A' ' 53' ' ' SER . 13.6 p -134.98 89.81 2.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.599 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.9 p90 -86.42 143.08 27.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -154.61 154.91 30.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.541 0.686 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.735 ' OG ' HG22 ' A' ' 41' ' ' THR . 45.5 m -154.21 116.39 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 65' ' ' LEU . 34.9 m -119.6 132.33 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -78.98 146.7 33.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.7 t -134.83 136.85 26.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.596 ' HD2' HG13 ' A' ' 56' ' ' VAL . 54.3 Cg_endo -69.74 113.37 3.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.58 -42.3 0.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.9 -46.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.513 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 14.1 ptp180 -105.04 155.35 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.45 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 24.2 p -113.43 33.21 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 62' ' ' HIS . 2.0 p-80 -161.31 166.66 27.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.6 159.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 3.1 m -107.05 131.0 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 42' ' ' TYR . 23.7 mt -101.78 97.53 8.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.76 178.93 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 54.59 52.06 12.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 24' ' ' LEU . 12.4 mt -110.48 160.4 16.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -93.74 178.56 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . . . -106.91 149.51 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 50.59 43.63 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 61.0 m -152.37 106.95 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.442 ' CA ' ' HA ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -60.51 174.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CE1' HD22 ' A' ' 68' ' ' LEU . 37.5 m-85 -148.36 113.71 5.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ALA . 7.0 ttm180 -61.45 95.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.589 HG11 HG21 ' A' ' 26' ' ' VAL . 71.8 t -82.86 116.78 27.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.89 107.62 16.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.618 HG22 ' HG ' ' A' ' 40' ' ' LEU . 43.4 t -105.38 146.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 132.79 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.501 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -85.54 119.99 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.45 121.73 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CE2' ' HA ' ' A' ' 8' ' ' ARG . 80.6 m-85 -113.08 168.72 9.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.11 -49.47 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.44 -178.07 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -106.25 137.46 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.4 p -72.06 172.71 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -53.66 175.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.83 126.07 54.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.435 HG23 HD11 ' A' ' 14' ' ' LEU . 12.7 m -98.97 128.3 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.0 p -88.65 158.48 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -163.69 110.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -91.56 133.52 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.474 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -145.03 103.28 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -52.99 142.4 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 HD13 ' A' ' 24' ' ' LEU . 7.7 p -88.59 174.68 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 49.4 mtm180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -132.01 120.41 17.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.71 59.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.515 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.78 129.69 18.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -118.15 178.09 4.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 62.46 39.54 11.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 HG23 ' A' ' 90' ' ' VAL . 12.6 mt -64.01 127.87 33.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.0 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD23 HD21 ' A' ' 24' ' ' LEU . 9.6 mp -94.08 117.24 29.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.92 117.32 31.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -98.75 105.28 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -97.23 -21.59 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.82 147.48 27.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.95 3.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.0 -2.71 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.39 153.75 33.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.655 HD21 HD23 ' A' ' 16' ' ' LEU . 7.9 tp -137.99 110.84 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 2.8 tt0 -71.65 149.98 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 76' ' ' VAL . 2.7 p -151.97 131.38 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -128.58 170.45 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -168.03 167.74 12.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.403 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 97.6 m -96.0 110.92 54.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 29' ' ' THR . 54.4 Cg_endo -69.67 142.24 47.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.48 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.8 tt -104.68 -36.82 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.33 150.99 14.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -64.71 99.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 81' ' ' ILE . 1.4 p -102.38 119.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.8 mt -56.07 -65.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.553 ' CE1' HG13 ' A' ' 81' ' ' ILE . 8.2 p80 -145.58 176.8 9.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.93 97.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -64.53 99.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.3 tt -90.54 142.34 27.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 p -144.9 105.01 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.644 ' CD2' HD22 ' A' ' 65' ' ' LEU . 41.0 p90 -101.69 155.74 17.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -154.07 169.04 10.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 111.044 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.497 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 40.2 mmtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.14 122.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.3 135.05 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -79.75 148.89 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 57' ' ' PRO . 91.3 t -130.95 137.37 30.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.65 0.738 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.616 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.79 110.95 2.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' ALA . . . -35.53 -44.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -34.01 -46.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.505 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 4.5 ptp180 -104.3 161.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.9 p -117.49 30.39 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -161.22 166.72 27.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 40' ' ' LEU . 6.9 p -171.03 152.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -101.98 140.28 36.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.644 HD22 ' CD2' ' A' ' 42' ' ' TYR . 14.9 mt -108.21 95.39 15.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.63 4.35 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.375 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.0 54.31 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 24' ' ' LEU . 24.0 mt -113.61 169.5 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -98.24 -175.09 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.34 155.79 21.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 42.57 32.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -136.98 106.29 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -57.48 173.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.463 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 27.5 m-85 -149.04 109.77 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -57.73 104.68 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 26' ' ' VAL . 53.2 t -95.38 111.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -108.27 110.8 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 t -107.66 151.47 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.71 134.42 16.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.78 117.06 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.1 mm -86.56 135.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 73.1 m-85 -130.27 162.47 28.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.49 -52.27 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.24 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.16 -174.2 35.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' CB ' HD13 ' A' ' 81' ' ' ILE . 7.1 ptt-85 -107.75 141.91 38.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -69.36 178.33 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.37 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.0 123.32 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 14' ' ' LEU . 10.9 m -100.76 117.11 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -87.67 166.37 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.2 116.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -92.05 125.53 36.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.75 92.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 31.6 tt0 -47.34 120.9 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 p -60.73 -176.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 71.3 mtm180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -118.09 121.9 30.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.696 0.76 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 157.3 60.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 127.79 15.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -113.29 177.83 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 62.25 46.46 6.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 92' ' ' ALA . 12.3 mt -65.43 131.04 45.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.65 112.1 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 24' ' ' LEU . 8.8 mp -93.88 105.08 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.79 124.39 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.733 ' CB ' HD12 ' A' ' 24' ' ' LEU . 2.4 p -100.77 123.78 45.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 5.2 mt-10 -102.68 -18.58 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.56 148.8 32.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.521 0.677 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -121.0 -0.46 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -157.33 149.32 22.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.733 HD12 ' CB ' ' A' ' 18' ' ' SER . 6.9 tp -125.17 124.82 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.4 tt0 -84.53 142.44 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG21 HG11 ' A' ' 76' ' ' VAL . 6.8 p -143.48 137.81 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.3 p -135.8 174.65 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -170.2 168.03 8.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.2 m -92.89 106.73 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.34 42.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -165.23 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.5 pt? -104.74 -27.07 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.89 150.23 46.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.19 106.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.716 HG22 ' CE1' ' A' ' 82' ' ' TYR . 89.9 t -105.16 117.22 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.85 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.527 ' CE1' HG12 ' A' ' 81' ' ' ILE . 3.1 p80 -140.67 176.76 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE1' HG11 ' A' ' 35' ' ' VAL . 28.8 m-85 -123.07 92.29 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -61.19 110.24 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.2 tt -104.33 138.86 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.723 HG22 ' OG ' ' A' ' 53' ' ' SER . 2.1 p -140.95 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.435 ' CD1' HD22 ' A' ' 65' ' ' LEU . 54.9 p90 -102.6 161.55 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -173.23 164.07 3.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 20.8 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.729 0.3 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.723 ' OG ' HG22 ' A' ' 41' ' ' THR . 6.5 m -154.73 123.98 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.67 135.0 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -81.3 142.35 33.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.657 HG13 ' HD2' ' A' ' 57' ' ' PRO . 92.7 t -128.99 138.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.657 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.7 Cg_endo -69.78 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -35.93 -43.16 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.26 -43.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 4.5 ptp180 -107.08 142.91 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.7 p -102.67 33.08 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -163.69 155.51 17.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.537 HG11 HD13 ' A' ' 40' ' ' LEU . 7.5 p -160.56 154.48 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -104.66 135.3 46.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD22 ' CD1' ' A' ' 42' ' ' TYR . 13.2 mt -105.27 95.29 9.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 179.36 3.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 t0 58.28 54.82 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 21.0 mt -120.78 168.8 11.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' O ' HG21 ' A' ' 96' ' ' THR . 6.4 mm100 -102.74 174.97 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.37 152.49 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 54.78 37.09 27.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.445 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 58.8 m -148.94 105.46 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' CA ' ' HA ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -62.16 174.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.484 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 64.6 m-85 -151.36 119.26 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -64.68 100.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.677 HG13 HD21 ' A' ' 40' ' ' LEU . 71.9 t -92.05 107.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mp -103.26 117.54 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.724 HG22 ' HG ' ' A' ' 40' ' ' LEU . 42.1 t -115.3 146.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -142.06 132.32 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.476 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -80.77 127.6 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.621 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -95.86 144.24 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.716 ' CE1' HG22 ' A' ' 35' ' ' VAL . 89.6 m-85 -138.67 170.38 16.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -44.76 80.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.31 30.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.99 169.86 39.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -89.43 145.95 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 p -77.57 177.01 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.57 -179.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.01 129.33 55.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.01 121.27 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -90.61 165.21 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -172.76 129.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.415 ' C ' HD22 ' A' ' 16' ' ' LEU . 30.7 p -98.26 140.47 32.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.463 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -150.1 100.42 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 42.7 tt0 -52.65 130.58 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 69' ' ' GLN . 19.7 p -64.37 -177.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.56 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 72.4 mtm180 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -143.88 119.39 6.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 156.57 62.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.16 12.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -115.34 177.43 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 62.34 34.76 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.672 HD11 HG23 ' A' ' 90' ' ' VAL . 12.6 mt -56.62 125.98 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.71 110.88 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.664 HD23 ' HA3' ' A' ' 94' ' ' GLY . 8.8 mp -95.5 117.59 30.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.75 129.56 56.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -109.39 104.2 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.4 pt-20 -97.65 -19.76 18.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.587 HG22 ' HG3' ' A' ' 19' ' ' GLU . 1.1 t -158.82 146.17 13.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 0.0 111.151 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 54.0 Cg_endo -69.79 6.1 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.06 -24.58 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.527 ' HB2' HG22 ' A' ' 64' ' ' THR . 51.0 p -144.93 150.85 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 68' ' ' LEU . 11.3 tp -126.56 118.63 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.39 140.12 36.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 76' ' ' VAL . 3.9 p -146.35 127.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -126.95 179.69 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -172.12 172.7 4.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.6 m -98.85 111.74 61.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 138.12 37.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -164.12 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.7 tp -93.58 -49.03 6.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.43 156.47 5.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.559 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -72.08 122.28 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.346 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.663 HG11 ' CE1' ' A' ' 38' ' ' TYR . 77.8 t -108.18 97.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.15 -58.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.531 ' NE2' HG21 ' A' ' 81' ' ' ILE . 7.7 p80 -151.89 159.82 43.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.663 ' CE1' HG11 ' A' ' 35' ' ' VAL . 47.1 m-85 -104.86 97.82 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -65.17 100.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD13 HG11 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -96.52 143.26 27.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.621 HG22 ' HB3' ' A' ' 53' ' ' SER . 6.8 p -145.9 110.44 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.511 ' HE1' HG13 ' A' ' 54' ' ' VAL . 25.6 p90 -111.8 148.0 34.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.765 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -174.79 165.85 2.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.765 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.621 ' HB3' HG22 ' A' ' 41' ' ' THR . 60.1 p -167.04 124.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.511 HG13 ' HE1' ' A' ' 42' ' ' TYR . 33.4 m -122.76 130.61 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -78.77 147.91 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.505 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.5 t -141.05 134.84 14.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.75 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.566 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.55 -35.86 0.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.17 -40.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -106.86 151.83 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -114.85 23.39 12.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -152.7 153.92 34.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.581 HG11 HD13 ' A' ' 40' ' ' LEU . 7.8 p -162.01 158.52 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 23' ' ' SER . 19.1 m -115.39 137.98 51.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' CG ' ' A' ' 42' ' ' TYR . 18.4 mt -104.91 95.39 8.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.76 -178.46 2.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 54.62 55.01 8.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 74' ' ' TYR . 34.2 mt -116.58 166.46 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -98.16 -174.78 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . . . -114.58 148.73 37.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 57.24 53.92 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.8 m -156.37 145.04 20.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -88.96 172.9 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 51.4 m-85 -157.21 112.18 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' CD ' HD11 ' A' ' 77' ' ' LEU . 8.1 ttm180 -69.55 93.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 26' ' ' VAL . 99.3 t -81.35 100.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.4 HD11 ' CD ' ' A' ' 75' ' ' ARG . 2.4 mp -97.1 106.95 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG22 ' HG ' ' A' ' 40' ' ' LEU . 9.9 t -107.07 139.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -136.46 141.06 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.78 122.63 31.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 86' ' ' ARG . 11.5 mm -93.63 135.98 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 72.8 m-85 -130.82 161.29 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.79 -46.13 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.13 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.31 -169.11 30.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.758 ' HB3' HD13 ' A' ' 81' ' ' ILE . 7.7 ptt180 -115.46 136.95 52.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.8 p -66.79 177.17 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.72 -178.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.62 131.63 55.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.672 HG23 HD11 ' A' ' 14' ' ' LEU . 3.6 m -102.99 124.85 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 p -87.36 155.58 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -162.16 118.38 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.9 p -95.18 118.49 32.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.664 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -126.42 96.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -54.83 132.72 46.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 p -68.53 177.03 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.885 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.552 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 31.3 mtm180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -126.75 118.84 22.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.77 59.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HG3' HG12 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.81 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -112.8 177.85 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 62.69 36.38 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 90' ' ' VAL . 11.6 mt -59.65 122.53 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.55 104.81 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.694 HD23 HD21 ' A' ' 24' ' ' LEU . 8.8 mp -87.03 113.69 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.88 122.77 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB2' HD12 ' A' ' 24' ' ' LEU . 26.7 t -99.04 115.22 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -103.09 -35.48 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.66 145.98 59.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.83 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.359 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.01 -5.54 9.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -150.14 148.54 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 16' ' ' LEU . 11.9 tp -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -81.55 138.55 35.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.782 HG21 HG11 ' A' ' 76' ' ' VAL . 4.1 p -139.59 128.49 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 p -126.52 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -166.96 168.8 13.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 m -96.22 110.65 53.36 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.552 0.691 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 137.71 35.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -173.75 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.1 pp -87.5 -43.09 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.662 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -58.71 133.27 52.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 123.65 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.806 HG22 ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -114.74 110.09 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -46.04 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.58 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.2 p80 -142.79 170.42 15.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -118.75 104.02 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -70.78 105.5 3.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD22 HD21 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -97.58 135.74 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.781 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.6 p -140.35 105.6 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -101.2 146.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -150.02 163.02 26.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.781 ' HB3' HG22 ' A' ' 41' ' ' THR . 77.7 p -155.54 111.63 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.7 m -106.86 138.7 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -83.47 147.18 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.598 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.2 t -132.94 136.96 28.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.75 111.59 2.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.88 -39.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -38.09 -45.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.508 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.3 ptp180 -105.44 158.44 16.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -115.89 36.13 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -164.49 163.48 22.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.527 ' CG1' HD13 ' A' ' 40' ' ' LEU . 6.0 p -169.13 147.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -97.7 134.14 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.545 HD21 HD22 ' A' ' 40' ' ' LEU . 9.6 mt -103.9 95.47 7.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.08 11.46 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 64.47 52.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.713 HD22 ' CE2' ' A' ' 74' ' ' TYR . 30.9 mt -120.79 174.66 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -89.45 -174.51 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 97' ' ' ALA . . . -103.27 -33.01 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -134.56 69.74 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.2 m -152.17 140.62 20.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -84.74 145.67 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.713 ' CE2' HD22 ' A' ' 68' ' ' LEU . 22.0 m-85 -135.77 112.82 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' A' ' 77' ' ' LEU . 11.1 ttt180 -67.76 97.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.782 HG11 HG21 ' A' ' 26' ' ' VAL . 93.4 t -81.99 107.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 75' ' ' ARG . 3.6 mp -101.94 111.51 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.576 HG12 ' HG3' ' A' ' 11' ' ' PRO . 20.2 t -111.94 142.89 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 49.5 m -146.87 125.61 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.515 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -74.38 129.85 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -99.4 131.59 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.806 ' CE1' HG22 ' A' ' 35' ' ' VAL . 80.2 m-85 -123.82 169.12 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.58 -45.28 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 -52.48 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.49 40.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -87.7 143.11 27.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 99.5 p -77.14 173.35 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -48.79 177.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.02 129.91 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 14' ' ' LEU . 3.2 m -100.57 126.8 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 p -95.61 152.84 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.05 120.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.4 p -87.92 134.68 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -145.4 91.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 96' ' ' THR . 28.7 tt0 -49.6 151.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.401 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 2.4 p -86.36 173.08 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.472 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 62.3 mtm180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -119.38 121.26 30.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 159.39 53.6 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 126.01 12.79 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -116.41 178.05 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 62.49 41.34 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 90' ' ' VAL . 12.9 mt -63.44 131.24 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.63 105.86 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 24' ' ' LEU . 8.4 mp -91.27 117.18 29.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.54 132.92 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -109.14 113.49 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -107.16 -30.18 8.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.95 145.1 37.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.91 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.8 -4.31 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.458 ' C ' HD12 ' A' ' 68' ' ' LEU . 1.6 m -159.34 147.91 17.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.72 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.9 tp -126.94 127.8 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 2.5 tp-100 -81.13 142.63 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.6 HG21 HG11 ' A' ' 76' ' ' VAL . 3.5 p -148.02 129.18 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -131.38 177.9 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.51 ' CD1' ' OG ' ' A' ' 61' ' ' SER . 36.5 p90 -172.69 174.22 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -102.66 121.43 49.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.568 0.699 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.59 40.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 173.75 10.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -48.41 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.8 128.22 10.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.24 155.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.613 HG22 ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -130.86 106.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -38.18 -55.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.868 ' NE2' HG21 ' A' ' 81' ' ' ILE . 6.5 p80 -157.52 156.8 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 24.7 m-85 -105.08 105.18 15.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CE2' ' OG ' ' A' ' 53' ' ' SER . 18.2 t-105 -81.14 104.08 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.759 HD21 HG13 ' A' ' 76' ' ' VAL . 1.2 tt -97.66 136.06 38.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -129.61 85.52 2.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.918 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.7 p90 -87.65 150.36 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -174.12 162.94 2.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.663 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' A' ' 39' ' ' TRP . 8.6 t -152.23 147.72 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 54' ' ' VAL . 31.5 m -142.86 126.11 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.86 146.98 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 57' ' ' PRO . 98.4 t -137.69 139.17 26.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 107.98 1.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.524 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.01 -37.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -39.29 -50.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.505 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.1 ptp180 -99.26 157.59 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.51 ' OG ' ' CD1' ' A' ' 28' ' ' TRP . 2.2 t -117.72 27.46 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -150.03 148.17 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 40' ' ' LEU . 2.1 p -154.09 163.89 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -120.52 136.38 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.918 HD22 ' CD1' ' A' ' 42' ' ' TYR . 9.1 mt -106.44 95.3 11.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.68 177.49 5.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.377 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.1 t0 57.49 53.9 7.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 24' ' ' LEU . 20.8 mt -108.99 171.57 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -102.94 -177.48 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.87 131.57 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.09 44.98 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.8 m -153.94 105.75 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -56.95 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 68' ' ' LEU . 32.7 m-85 -151.16 108.55 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' ALA . 10.7 ttm-85 -58.02 93.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.759 HG13 HD21 ' A' ' 40' ' ' LEU . 42.2 t -82.72 106.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.09 107.84 19.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.57 HG22 ' HG ' ' A' ' 40' ' ' LEU . 3.8 t -104.47 151.63 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 23.1 m -150.1 126.73 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.518 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.31 125.87 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.868 HG21 ' NE2' ' A' ' 37' ' ' HIS . 1.1 mp -98.07 136.68 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.613 ' CE1' HG22 ' A' ' 35' ' ' VAL . 72.1 m-85 -130.77 169.68 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.24 -43.64 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.94 -40.79 45.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.56 177.93 44.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -99.81 148.12 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -81.27 174.79 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -53.23 168.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.86 135.89 44.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.433 HG23 HD11 ' A' ' 14' ' ' LEU . 3.6 m -106.47 117.2 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 p -87.67 155.27 20.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.73 124.62 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.1 p -96.12 125.38 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.404 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -132.05 90.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.544 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 43.9 tt0 -47.84 127.72 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.391 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.7 p -71.22 -178.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 5.4 mtp-105 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.828 0.346 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -139.38 112.43 7.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.83 68.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.64 9.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -106.94 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 62.4 35.97 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.659 HD11 HG23 ' A' ' 90' ' ' VAL . 12.5 mt -59.86 131.8 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.64 109.93 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 24' ' ' LEU . 9.7 mp -90.3 119.35 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.14 123.9 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -100.79 113.28 26.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.79 -30.76 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.83 147.45 35.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.15 -9.68 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 m -154.34 153.58 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.7 tp -133.46 121.53 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -76.23 144.74 40.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG21 HG11 ' A' ' 76' ' ' VAL . 2.5 p -148.02 121.5 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -121.7 170.94 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CE2' ' O ' ' A' ' 61' ' ' SER . 26.2 p90 -172.66 168.33 5.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.1 m -96.53 114.65 64.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 141.95 46.31 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -173.94 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -95.19 -42.77 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.83 149.17 5.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 96.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 81' ' ' ILE . 3.9 p -97.46 112.74 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.89 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.462 ' CE1' HG13 ' A' ' 81' ' ' ILE . 5.0 p80 -136.37 174.68 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 44.9 m-85 -116.32 93.41 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.01 107.76 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.719 ' CD2' HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -95.91 156.13 16.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 40' ' ' LEU . 17.9 p -164.89 104.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 52' ' ' LYS . 20.3 p90 -100.48 166.12 11.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -160.14 169.43 10.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.689 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 17.0 mmtp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 41' ' ' THR . 83.3 p -161.25 141.79 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 40' ' ' LEU . 17.4 m -139.89 142.1 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -88.11 144.22 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.01 131.5 19.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.9 18.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.47 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -46.9 -32.72 6.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.93 -45.42 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.9 148.36 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.453 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 88.6 p -107.55 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.62 170.04 16.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.537 HG11 HD22 ' A' ' 40' ' ' LEU . 3.5 p -166.03 157.19 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.414 ' OG1' ' NE2' ' A' ' 25' ' ' GLN . 10.7 m -114.85 133.77 55.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.719 HD21 ' CD2' ' A' ' 40' ' ' LEU . 36.5 mt -102.98 96.57 8.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.71 -175.68 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.385 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 46.68 53.42 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 24' ' ' LEU . 12.6 mt -108.08 165.17 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -95.54 -175.19 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.08 152.93 28.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.44 46.71 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -153.69 105.75 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -57.74 163.7 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 35.6 m-85 -140.12 110.3 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -61.13 98.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 26' ' ' VAL . 93.8 t -86.05 117.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mp -110.26 112.96 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' A' ' 40' ' ' LEU . 5.8 t -114.12 140.98 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -139.09 135.15 33.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.93 119.81 24.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 86' ' ' ARG . 16.2 mm -87.71 147.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 8' ' ' ARG . 65.9 m-85 -145.28 160.77 41.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.43 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.62 17.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.99 -160.0 11.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.757 ' HB3' HD13 ' A' ' 81' ' ' ILE . 6.4 ptt180 -125.64 131.18 52.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.346 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.4 p -58.29 167.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -52.26 176.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.83 130.74 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.659 HG23 HD11 ' A' ' 14' ' ' LEU . 6.7 m -102.33 124.91 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 p -90.82 153.82 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.01 121.67 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -98.74 129.18 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -134.81 94.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 18.7 tt0 -47.39 120.8 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -64.0 -179.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.542 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.6 mtm105 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 t -117.4 123.59 29.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.708 0.766 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.522 ' HG3' HG12 ' A' ' 78' ' ' VAL . 54.4 Cg_endo -69.69 127.14 14.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.383 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -113.28 177.54 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 57.7 45.7 18.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 90' ' ' VAL . 11.7 mt -63.52 128.08 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.79 105.82 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.516 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.9 mp -92.35 103.9 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.93 129.41 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.687 ' CB ' HD12 ' A' ' 24' ' ' LEU . 3.2 p -108.61 126.99 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.51 -22.64 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -142.08 148.0 46.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 111.187 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -2.96 11.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.13 -2.07 17.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -152.33 171.42 18.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.687 HD12 ' CB ' ' A' ' 18' ' ' SER . 6.6 tp -145.7 127.84 15.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' ALA . 1.9 tt0 -93.24 137.09 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -143.96 141.22 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -139.64 -179.6 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.6 p90 -170.54 171.27 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.8 m -93.51 115.17 64.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.6 19.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.46 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.1 pp -100.3 -41.74 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.608 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -48.83 152.51 2.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 89.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG11 ' OH ' ' A' ' 38' ' ' TYR . 4.8 p -89.3 116.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.76 -68.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.3 p80 -137.87 174.98 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.502 ' OH ' HG11 ' A' ' 35' ' ' VAL . 66.4 m-85 -118.36 97.46 5.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -67.22 113.99 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 63' ' ' VAL . 1.1 tt -106.18 136.45 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.625 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.2 p -134.78 93.12 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.605 ' CD2' HD22 ' A' ' 65' ' ' LEU . 25.4 p90 -91.81 144.25 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -163.61 159.08 17.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 111.114 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.133 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.625 ' HB3' HG22 ' A' ' 41' ' ' THR . 21.7 p -164.02 141.34 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.5 131.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -71.83 150.53 44.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.5 t -142.13 130.29 11.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 54.1 Cg_endo -69.73 119.88 6.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.45 -35.25 2.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.85 -42.43 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.069 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 8.6 ptp180 -108.16 144.26 35.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -102.47 25.32 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -151.0 162.68 40.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 40' ' ' LEU . 7.8 p -163.12 155.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 m -109.38 141.81 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.605 HD22 ' CD2' ' A' ' 42' ' ' TYR . 57.5 mt -112.5 93.28 22.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.8 Cg_endo -69.71 171.65 14.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.97 55.02 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.928 HD22 ' CE2' ' A' ' 74' ' ' TYR . 30.8 mt -120.7 157.87 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.93 -177.68 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 97' ' ' ALA . . . -111.84 146.24 38.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.75 43.29 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.9 m -140.38 143.92 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.605 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -84.41 166.06 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.928 ' CE2' HD22 ' A' ' 68' ' ' LEU . 33.4 m-85 -155.16 105.35 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.67 90.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.09 107.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -102.54 106.18 16.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 11' ' ' PRO . 39.8 t -102.85 139.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.7 m -142.11 130.15 21.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.478 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -80.79 126.05 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -97.0 130.51 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 87.4 m-85 -123.53 165.11 17.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.6 -50.72 31.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.14 43.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.36 167.98 39.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -88.11 144.85 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.426 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 85.6 p -77.79 175.02 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -50.44 173.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.94 133.08 55.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.567 HG23 HD11 ' A' ' 14' ' ' LEU . 5.5 m -106.79 123.48 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.4 p -90.8 156.72 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.53 123.58 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 p -89.91 120.72 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.516 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -124.05 91.53 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -56.94 123.42 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.1 p -61.46 178.27 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.451 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -122.39 122.46 27.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.81 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 158.12 58.03 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.451 ' O ' HG21 ' A' ' 90' ' ' VAL . 54.4 Cg_endo -69.71 126.71 13.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -117.01 177.38 4.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 61.84 35.19 16.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.748 HD11 HG23 ' A' ' 90' ' ' VAL . 10.9 mt -56.41 128.77 37.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.89 106.07 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.697 HD21 ' CG2' ' A' ' 76' ' ' VAL . 10.5 mp -93.01 116.68 29.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.72 132.13 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -110.3 114.6 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.23 -32.11 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -142.42 145.34 34.46 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 9.23 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.19 -19.09 12.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -150.21 159.54 44.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 68' ' ' LEU . 9.3 tp -135.19 119.66 18.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -79.09 143.87 35.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.745 HG21 HG11 ' A' ' 76' ' ' VAL . 4.7 p -148.73 127.79 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.27 175.2 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -166.28 172.62 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.4 m -96.0 115.4 65.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 0.0 111.196 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.07 22.53 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.2 pp -101.05 -39.26 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.58 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -51.89 167.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -84.48 96.95 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.649 HG21 ' CE1' ' A' ' 38' ' ' TYR . 2.4 p -95.12 121.82 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.82 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.56 ' CE1' HG13 ' A' ' 81' ' ' ILE . 5.4 p80 -138.67 166.22 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.649 ' CE1' HG21 ' A' ' 35' ' ' VAL . 31.3 m-85 -112.21 90.94 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -61.49 99.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.976 HD13 HG11 ' A' ' 63' ' ' VAL . 1.4 tt -99.41 133.11 44.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.749 HG22 ' OG ' ' A' ' 53' ' ' SER . 7.9 p -133.67 113.5 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.807 ' CD1' HD22 ' A' ' 65' ' ' LEU . 23.3 p90 -106.15 141.23 37.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -148.65 159.32 38.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 57.8 mmtt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.749 ' OG ' HG22 ' A' ' 41' ' ' THR . 11.9 m -164.21 124.88 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -108.12 157.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.9 p -100.21 150.2 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.3 t -136.77 134.66 19.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 54.2 Cg_endo -69.69 0.1 6.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . 74.67 -47.97 1.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 13.1 ptm180 -93.73 145.82 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.9 p -103.73 27.67 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -155.56 172.29 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.976 HG11 HD13 ' A' ' 40' ' ' LEU . 9.5 p -173.99 154.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.9 m -114.84 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.807 HD22 ' CD1' ' A' ' 42' ' ' TYR . 14.2 mt -103.51 94.87 6.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 64' ' ' THR . 53.3 Cg_endo -69.8 174.26 9.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.297 . . . . 0.0 112.275 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 57.39 54.99 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.955 HD22 ' CE2' ' A' ' 74' ' ' TYR . 13.3 mt -113.06 169.63 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -108.38 -175.19 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.87 148.06 39.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.58 48.57 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -151.96 142.78 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.3 mppt? -85.68 166.61 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.955 ' CE2' HD22 ' A' ' 68' ' ' LEU . 32.4 m-85 -151.14 111.03 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HD2' HD11 ' A' ' 77' ' ' LEU . 8.8 ttm180 -71.74 94.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 40' ' ' LEU . 88.2 t -78.38 108.81 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.566 HD11 ' HD2' ' A' ' 75' ' ' ARG . 2.2 mp -106.89 105.84 16.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.749 HG22 ' HG ' ' A' ' 40' ' ' LEU . 3.2 t -107.51 143.61 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -143.28 125.3 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.66 120.62 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.682 HD13 ' CB ' ' A' ' 86' ' ' ARG . 7.1 mm -89.14 145.42 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -139.61 158.85 43.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.26 -51.67 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.57 -52.27 22.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.47 -169.33 32.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.682 ' CB ' HD13 ' A' ' 81' ' ' ILE . 5.3 ptt-85 -115.82 134.89 54.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -63.92 175.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -52.58 -176.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 125.78 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.748 HG23 HD11 ' A' ' 14' ' ' LEU . 5.2 m -95.62 124.46 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 p -90.17 154.81 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.6 136.0 11.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.5 p -106.51 114.78 29.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.36 90.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.67 142.64 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 p -85.47 169.51 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.541 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 24.6 mtm105 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -120.33 128.95 25.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 155.35 66.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.4 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m -111.86 177.79 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 63.37 37.66 10.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' A' ' 92' ' ' ALA . 11.2 mt -57.1 129.79 43.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 109.28 8.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.0 mp -98.91 117.24 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.37 138.74 50.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -115.33 109.4 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HG3' HG22 ' A' ' 20' ' ' THR . 8.4 pt-20 -111.85 -13.87 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.503 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -148.98 137.04 11.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 111.164 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.73 2.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.435 ' C ' ' HG ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -116.63 -0.9 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.435 ' HG ' ' C ' ' A' ' 22' ' ' ASP . 3.1 m -162.37 154.88 19.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 68' ' ' LEU . 10.1 tp -132.13 130.17 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -84.56 134.74 34.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.014 HG21 HG11 ' A' ' 76' ' ' VAL . 5.9 p -140.81 128.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -132.95 -179.29 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.4 p90 -172.58 172.41 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -94.47 113.95 62.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.29 32.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -168.66 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.1 pt? -98.55 -31.12 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.09 144.99 43.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -64.0 109.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.53 120.34 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 81' ' ' ILE . 38.2 mt -50.75 -65.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.577 ' CE1' HG12 ' A' ' 81' ' ' ILE . 19.6 p80 -145.44 -178.8 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.526 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 74.7 m-85 -120.56 91.67 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -60.29 101.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.611 HD22 HD21 ' A' ' 65' ' ' LEU . 1.2 tt -94.19 140.1 30.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.649 HG22 ' OG ' ' A' ' 53' ' ' SER . 26.3 p -143.01 105.83 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.661 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.6 p90 -103.26 149.64 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -156.83 162.77 26.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.669 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.649 ' OG ' HG22 ' A' ' 41' ' ' THR . 6.4 m -160.94 116.35 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.62 133.29 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.9 t -80.1 143.29 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.605 HG13 ' HD2' ' A' ' 57' ' ' PRO . 89.8 t -132.45 137.2 29.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.605 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.83 111.01 2.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.15 -35.7 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.69 -45.26 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.512 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.4 ptp180 -105.05 150.01 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -110.3 30.78 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -154.75 153.28 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.621 HG22 ' H ' ' A' ' 64' ' ' THR . 7.9 p -159.99 170.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.621 ' H ' HG22 ' A' ' 63' ' ' VAL . 3.9 m -127.89 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.661 HD22 ' CD1' ' A' ' 42' ' ' TYR . 5.1 mt -109.47 95.78 20.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.81 179.85 3.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.8 54.43 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.561 HD22 ' CE2' ' A' ' 74' ' ' TYR . 38.4 mt -113.89 163.49 15.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 179.81 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.4 146.69 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 58.63 46.88 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.7 m -147.6 143.32 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.563 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 3.6 mppt? -86.54 172.92 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 67.1 m-85 -158.57 116.21 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' NE ' HD11 ' A' ' 77' ' ' LEU . 8.2 ttt180 -72.4 92.3 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.014 HG11 HG21 ' A' ' 26' ' ' VAL . 63.2 t -79.41 92.69 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.446 HD11 ' NE ' ' A' ' 75' ' ' ARG . 3.6 mp -89.51 113.0 24.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.488 HG12 ' HG3' ' A' ' 11' ' ' PRO . 39.3 t -106.34 151.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 p -151.17 130.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.49 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -86.21 121.79 29.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.53 119.12 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 70.0 m-85 -111.87 167.28 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.42 -44.19 62.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.36 -48.39 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.77 178.14 47.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -98.56 138.82 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -73.78 177.24 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.48 -177.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.37 128.93 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.489 HG23 HD11 ' A' ' 14' ' ' LEU . 3.5 m -102.28 124.7 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.2 p -85.07 162.32 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.724 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -166.2 117.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.5 p -93.35 116.43 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.504 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -124.64 95.1 0.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.69 128.53 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.8 p -72.22 176.8 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.606 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.0 ptt85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.8 123.95 39.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.24 53.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -131.96 177.21 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 61.19 44.37 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 92' ' ' ALA . 13.0 mt -64.6 130.32 43.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.76 105.33 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.53 HD23 ' HA3' ' A' ' 94' ' ' GLY . 8.5 mp -94.61 112.16 23.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.92 127.43 55.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.0 t -103.81 110.23 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' CG ' HG22 ' A' ' 20' ' ' THR . 13.2 pt-20 -105.39 -23.89 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.501 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -145.98 146.44 28.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.571 0.701 . . . . 0.0 111.142 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.16 3.78 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.24 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -119.76 -6.1 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.1 145.67 28.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 12.3 tp -131.99 116.47 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.92 140.17 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 p -150.0 121.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -124.64 176.64 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -166.82 177.96 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 83.0 m -100.08 117.38 63.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.528 0.68 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 136.06 31.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.55 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.1 tp -93.47 -34.55 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.52 130.64 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -48.57 131.4 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.455 HG11 ' OH ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -123.76 125.68 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.31 -62.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.43 ' CE1' HG12 ' A' ' 81' ' ' ILE . 7.9 p80 -150.87 -179.93 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' OH ' HG11 ' A' ' 35' ' ' VAL . 39.8 m-85 -121.8 93.87 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.85 97.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 63' ' ' VAL . 1.1 tt -91.11 135.3 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 53' ' ' SER . 18.7 p -134.43 102.74 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.547 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.0 p90 -104.74 142.47 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.762 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -163.58 165.86 13.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.762 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.685 ' HB3' HG22 ' A' ' 41' ' ' THR . 81.1 p -167.55 122.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.79 144.75 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -87.45 150.84 23.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.2 t -146.16 135.05 11.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.7 Cg_endo -69.74 111.95 2.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.84 -36.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.15 -46.45 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -97.27 157.1 16.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -118.56 24.56 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -153.47 151.03 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 40' ' ' LEU . 1.7 p -157.79 161.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.6 m -122.15 139.93 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD22 ' CD1' ' A' ' 42' ' ' TYR . 16.8 mt -102.31 97.34 8.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' C ' ' CG ' ' A' ' 67' ' ' ASP . 54.1 Cg_endo -69.77 -179.47 2.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.47 ' CG ' ' C ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 49.34 53.01 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.619 HD22 ' CE2' ' A' ' 74' ' ' TYR . 13.0 mt -107.96 176.34 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -110.31 -174.5 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.82 157.64 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 47.8 52.12 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 m -152.89 144.88 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.442 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.4 mptt -91.5 160.77 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.619 ' CE2' HD22 ' A' ' 68' ' ' LEU . 36.7 m-85 -146.35 105.73 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.801 ' HD3' HD11 ' A' ' 77' ' ' LEU . 4.5 ttt85 -67.98 91.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG13 HD21 ' A' ' 40' ' ' LEU . 53.0 t -78.39 114.54 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.801 HD11 ' HD3' ' A' ' 75' ' ' ARG . 2.5 mp -109.35 106.94 16.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.78 148.62 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -149.69 125.99 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -83.33 123.14 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.645 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -92.12 131.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CD2' ' HB3' ' A' ' 8' ' ' ARG . 86.5 m-85 -126.27 154.91 42.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.32 -43.38 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.5 -52.44 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.5 164.06 33.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -86.25 134.45 33.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.2 p -69.98 173.75 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.95 169.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.49 139.62 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.66 118.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 p -84.3 156.95 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -164.74 120.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 p -93.0 119.32 32.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.53 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -129.24 91.83 0.32 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -52.5 134.87 34.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 p -74.35 -176.82 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.443 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 8' ' ' ARG . 27.0 mtm105 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -101.47 114.31 65.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.718 0.771 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 159.0 55.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.46 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.81 126.69 13.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.83 177.25 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.12 36.32 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.648 HD11 HG23 ' A' ' 90' ' ' VAL . 12.0 mt -61.24 130.19 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.27 120.9 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 mp -102.27 117.87 35.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 124.51 52.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.744 ' HA ' HD12 ' A' ' 24' ' ' LEU . 20.1 t -97.5 122.24 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.559 ' CG ' HG22 ' A' ' 20' ' ' THR . 5.6 pt-20 -115.46 -26.42 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.559 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -149.45 146.34 20.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' LEU . 53.5 Cg_endo -69.8 4.01 2.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.5 -22.54 12.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.521 ' HB2' HG22 ' A' ' 64' ' ' THR . 71.3 p -151.51 156.87 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 18' ' ' SER . 5.7 tp -131.1 134.89 47.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -85.88 142.43 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 63' ' ' VAL . 6.2 p -143.43 135.49 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -133.8 170.05 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.427 ' HB3' HD23 ' A' ' 14' ' ' LEU . 28.3 p90 -168.68 162.42 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.3 m -88.82 117.1 67.95 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.586 0.708 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 136.78 34.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -168.78 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tp -99.68 -39.91 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.96 155.4 4.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 99.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 38' ' ' TYR . 1.2 p -99.11 133.02 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.34 -56.44 4.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.949 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.443 ' CE1' HG12 ' A' ' 81' ' ' ILE . 5.8 p80 -146.73 176.03 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 35' ' ' VAL . 34.4 m-85 -120.79 94.16 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -62.6 94.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.663 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.7 tt -89.48 140.08 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.495 HG22 ' OG ' ' A' ' 53' ' ' SER . 1.7 p -139.1 106.66 5.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.841 ' CD2' HD22 ' A' ' 65' ' ' LEU . 30.0 p90 -105.99 147.54 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.688 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -171.28 163.27 5.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.688 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.495 ' OG ' HG22 ' A' ' 41' ' ' THR . 2.4 m -166.22 123.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.23 142.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 t -85.55 149.48 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.513 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.0 t -130.08 137.24 30.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.513 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 53.2 Cg_endo -69.83 -0.67 7.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.38 -48.83 1.87 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.81 -41.72 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HD3' ' CG ' ' A' ' 57' ' ' PRO . 13.4 ptt180 -94.42 135.17 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -96.15 32.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -159.68 159.97 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.663 ' CG1' HD13 ' A' ' 40' ' ' LEU . 8.3 p -166.18 147.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 23' ' ' SER . 2.3 m -100.01 136.55 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.841 HD22 ' CD2' ' A' ' 42' ' ' TYR . 7.6 mt -104.24 94.65 7.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.77 175.78 7.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.372 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.21 55.0 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.549 HD22 ' CE2' ' A' ' 74' ' ' TYR . 29.2 mt -115.97 160.48 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.8 -176.96 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.16 149.97 29.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 55.5 48.4 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -150.99 143.09 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.1 mppt? -86.74 170.19 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.549 ' CE2' HD22 ' A' ' 68' ' ' LEU . 59.9 m-85 -155.96 106.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.02 103.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 26' ' ' VAL . 16.6 t -89.83 113.25 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mp -108.32 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG22 ' HG ' ' A' ' 40' ' ' LEU . 12.8 t -111.83 158.94 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 9.6 m -158.06 128.18 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.537 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -79.46 125.34 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.647 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.29 120.33 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.417 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 61.2 m-85 -113.33 162.33 16.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.93 -48.56 11.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.96 -57.53 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.53 168.95 41.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -88.3 142.58 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.6 p -75.94 177.03 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.72 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.08 125.04 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.648 HG23 HD11 ' A' ' 14' ' ' LEU . 3.3 m -99.41 123.61 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -95.68 153.47 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.61 144.91 18.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.3 p -107.94 136.32 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.57 92.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -49.36 141.52 8.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.5 p -84.15 -178.6 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.511 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 45.9 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -114.72 120.01 38.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.735 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 160.16 50.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.496 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.76 127.02 14.0 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -117.86 177.53 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 62.21 34.99 15.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 90' ' ' VAL . 13.5 mt -61.51 130.35 45.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.31 117.01 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 24' ' ' LEU . 9.1 mp -98.85 117.7 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.04 131.3 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -104.38 122.22 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.1 -3.73 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 22' ' ' ASP . 3.4 t -175.56 145.25 0.81 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.537 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 53.6 Cg_endo -69.76 18.56 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.8 p30 -128.17 -11.18 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -151.17 153.81 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 16' ' ' LEU . 11.2 tp -137.06 111.5 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.1 tp-100 -66.96 145.23 55.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG21 HG11 ' A' ' 76' ' ' VAL . 4.1 p -150.19 131.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.4 t -134.35 -178.76 5.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -175.19 -177.91 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -110.14 118.17 50.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 138.69 38.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.624 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.0 pt? -98.03 -29.97 12.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.81 147.85 50.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.518 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.36 106.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.35 131.54 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.55 -62.62 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.499 ' CE1' HG12 ' A' ' 81' ' ' ILE . 6.4 p80 -143.51 -175.5 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -127.31 94.34 3.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.72 100.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.6 tt -93.63 140.83 29.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.754 HG22 ' OG ' ' A' ' 53' ' ' SER . 9.6 p -145.78 105.18 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.488 ' CZ ' ' CB ' ' A' ' 52' ' ' LYS . 51.8 p90 -98.85 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.651 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -169.54 162.34 7.21 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.651 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 64.7 mmtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.754 ' OG ' HG22 ' A' ' 41' ' ' THR . 14.4 m -161.25 136.84 7.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.96 161.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.8 p -102.35 154.76 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.8 t -142.63 131.64 11.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' GLY . 53.2 Cg_endo -69.78 112.97 3.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.23 -36.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.51 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -103.95 157.92 16.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -115.3 16.41 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -142.03 159.61 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 ' H ' ' A' ' 64' ' ' THR . 1.5 p -161.9 -179.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.736 ' H ' HG22 ' A' ' 63' ' ' VAL . 2.3 m -134.29 135.82 43.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 42' ' ' TYR . 17.3 mt -103.24 95.85 7.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.76 177.51 5.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 54.6 54.3 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.9 mt -112.83 160.01 18.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -85.65 -174.85 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . . . -115.72 150.45 36.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.87 40.0 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -153.22 112.93 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -64.09 177.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 29.8 m-85 -148.91 111.18 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' ALA . 16.2 ttm180 -57.45 100.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.522 HG11 HG21 ' A' ' 26' ' ' VAL . 40.9 t -86.34 116.27 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -112.79 107.06 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.502 HG22 ' HG ' ' A' ' 40' ' ' LEU . 11.8 t -105.3 147.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.44 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -146.73 124.47 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.507 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.8 127.52 32.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.32 131.71 44.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 8' ' ' ARG . 78.1 m-85 -122.55 163.76 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.46 -44.79 25.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.97 -50.13 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.36 -176.4 41.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -105.39 141.55 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.9 p -74.78 173.18 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.95 178.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.69 134.68 54.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.697 HG23 HD11 ' A' ' 14' ' ' LEU . 3.8 m -105.31 119.78 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -156.75 127.78 6.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.7 p -99.0 128.95 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -140.93 95.99 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.448 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 48.2 tt0 -50.46 136.61 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -178.77 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.809 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 64.3 mtm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -131.04 120.8 18.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 127.22 14.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.704 2.27 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.51 175.42 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 62.49 42.38 8.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 92' ' ' ALA . 12.3 mt -63.55 129.8 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 105.93 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.063 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.63 HD23 HD21 ' A' ' 24' ' ' LEU . 9.2 mp -91.07 116.03 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.89 125.76 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 t -98.99 123.78 43.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 20' ' ' THR . 11.5 pt-20 -116.2 -27.58 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.576 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -145.91 147.22 31.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.116 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 4.62 2.09 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -120.68 -3.36 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -155.23 150.74 27.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.63 HD21 HD23 ' A' ' 16' ' ' LEU . 6.8 tp -133.96 121.59 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.01 139.61 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.408 HG21 HG11 ' A' ' 76' ' ' VAL . 2.8 p -142.68 125.26 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 p -125.42 169.11 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CH2' HD12 ' A' ' 40' ' ' LEU . 30.7 p90 -166.23 172.08 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.8 m -95.46 115.35 65.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.46 21.3 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -173.09 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -97.55 -43.73 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.44 138.23 18.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 102.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 81' ' ' ILE . 3.4 p -106.99 112.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.6 -68.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.582 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.0 p80 -139.2 162.64 34.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.519 ' OH ' HG11 ' A' ' 35' ' ' VAL . 96.9 m-85 -105.69 91.81 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -58.32 106.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.782 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.1 tt -100.04 132.7 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 53' ' ' SER . 2.0 p -131.72 91.91 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.912 ' CD2' HD22 ' A' ' 65' ' ' LEU . 26.7 p90 -90.93 140.8 29.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -168.47 168.88 5.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 25.3 mmtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.771 0.32 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.619 ' HB3' HG22 ' A' ' 41' ' ' THR . 73.3 p -156.71 152.62 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.8 148.63 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.2 p -90.65 141.43 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -135.5 125.5 16.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' GLY . 54.1 Cg_endo -69.74 119.41 6.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.401 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.57 -38.71 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.27 -44.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -104.71 156.54 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -117.56 35.92 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -165.91 166.56 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.535 ' CG1' HD13 ' A' ' 40' ' ' LEU . 3.7 p -170.56 152.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -103.06 135.53 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.912 HD22 ' CD2' ' A' ' 42' ' ' TYR . 12.0 mt -103.62 94.72 6.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.2 Cg_endo -69.77 -179.38 2.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.74 55.02 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.652 HD22 ' CE2' ' A' ' 74' ' ' TYR . 19.4 mt -115.06 162.86 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -100.09 -175.8 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.52 146.68 40.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 59.35 50.99 7.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.0 m -157.29 131.18 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 2.4 mppt? -79.84 154.05 28.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.652 ' CE2' HD22 ' A' ' 68' ' ' LEU . 20.0 m-85 -134.91 98.18 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' ALA . 2.6 ttm180 -53.68 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG2' HD21 ' A' ' 16' ' ' LEU . 73.4 t -80.5 118.75 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.16 107.84 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.782 HG22 ' HG ' ' A' ' 40' ' ' LEU . 46.9 t -107.52 146.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m -144.55 120.45 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.1 121.08 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 86' ' ' ARG . 18.8 mm -88.02 143.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 58.7 m-85 -136.17 159.73 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.12 -48.74 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.83 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.58 -164.42 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.584 ' HB3' HD13 ' A' ' 81' ' ' ILE . 2.8 ptt180 -119.38 137.1 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.3 p -64.33 171.32 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -50.39 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.58 119.78 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 m -95.72 129.06 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.8 p -90.22 161.85 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -163.25 125.85 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 p -98.47 123.77 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -135.25 98.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.52 135.31 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 p -77.35 -178.76 5.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.853 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -72.19 -59.56 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -87.46 132.71 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.17 120.16 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -130.5 151.58 50.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -84.62 90.28 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.81 -50.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.554 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 81.4 mtm180 -109.93 115.21 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -118.45 122.71 29.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 158.45 56.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.73 126.89 13.86 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -119.38 178.05 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 64.28 34.6 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 90' ' ' VAL . 11.6 mt -57.57 131.41 50.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.82 109.76 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.79 112.02 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.13 126.44 55.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' HD12 ' A' ' 24' ' ' LEU . 8.6 t -102.54 114.79 29.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.07 -20.34 13.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.5 146.92 20.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.131 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.19 2.93 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.293 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.5 -10.28 11.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -149.04 155.44 40.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 18' ' ' SER . 5.9 tp -137.04 119.14 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.4 142.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.466 HG21 HG11 ' A' ' 76' ' ' VAL . 2.5 p -150.39 129.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 t -132.85 -177.1 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 p90 -174.03 167.77 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 53.7 m -94.25 108.73 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.6 Cg_endo -69.79 142.88 48.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -178.05 2.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.8 pt? -86.79 -29.66 22.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 156.57 52.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 34' ' ' ARG . 1.8 tmm_? -72.2 121.72 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.785 HG11 ' CE1' ' A' ' 38' ' ' TYR . 44.8 t -110.13 124.98 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.17 -61.94 2.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.599 ' NE2' HG21 ' A' ' 81' ' ' ILE . 6.1 p80 -148.55 170.35 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.785 ' CE1' HG11 ' A' ' 35' ' ' VAL . 18.2 m-85 -115.87 102.96 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -74.14 100.27 3.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD21 HG13 ' A' ' 76' ' ' VAL . 1.4 tt -94.31 135.01 36.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 p -134.98 89.35 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.477 ' CD1' HD22 ' A' ' 65' ' ' LEU . 34.0 p90 -92.57 155.6 17.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -172.7 168.57 2.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo -69.76 97.61 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -35.79 -44.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 p -41.71 -48.8 4.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.74 55.67 1.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -121.83 -41.39 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.36 -179.82 32.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 174.58 9.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.288 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -101.95 138.23 39.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -106.95 -177.66 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.0 p -169.84 137.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG21 ' CD2' ' A' ' 65' ' ' LEU . 22.3 m -134.94 133.47 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -79.12 153.09 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.669 HG13 ' HD2' ' A' ' 57' ' ' PRO . 93.3 t -148.08 138.83 13.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.669 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.9 Cg_endo -69.71 109.01 2.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.92 -29.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -45.88 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -102.39 151.57 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 20.3 p -109.8 35.93 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -159.66 162.07 35.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 40' ' ' LEU . 7.2 p -169.41 146.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -105.56 134.18 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 42' ' ' TYR . 13.3 mt -104.05 95.17 7.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.8 179.82 3.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.305 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.24 50.52 13.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 24' ' ' LEU . 23.9 mt -108.98 163.75 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -94.77 -175.48 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.569 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -109.26 158.1 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 40.91 51.26 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -158.35 116.22 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -70.37 176.55 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 32.2 m-85 -149.46 125.46 10.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -73.25 92.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.648 HG13 HD21 ' A' ' 40' ' ' LEU . 80.6 t -81.36 114.87 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp -111.84 106.87 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -101.24 154.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.18 128.78 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.491 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -83.14 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.599 HG21 ' NE2' ' A' ' 37' ' ' HIS . 1.0 OUTLIER -97.14 128.25 48.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 79.4 m-85 -119.65 171.15 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.08 -44.95 75.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.42 -49.79 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.57 178.38 44.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -100.52 142.9 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.5 p -76.49 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -52.12 -179.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.32 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.545 HG23 HD11 ' A' ' 14' ' ' LEU . 3.3 m -107.76 117.86 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -88.94 153.85 20.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.2 115.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.0 p -90.97 130.14 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.27 108.42 0.67 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -55.36 132.57 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 179.76 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -85.71 156.52 20.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.6 p -85.74 148.09 47.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.569 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 54.2 Cg_endo -69.75 130.81 20.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.1 t -157.85 120.36 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.48 161.5 34.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 126.74 13.66 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.1 t -145.65 145.18 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.5 p -99.29 41.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.459 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -60.82 -55.28 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -112.01 107.03 15.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.13 157.36 8.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -151.79 151.32 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -96.7 -51.27 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.44 143.47 5.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 53.4 mtm180 -145.26 137.34 25.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.6 t -126.6 120.92 23.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.902 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 159.02 55.0 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.398 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.68 ' O ' HG21 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.76 121.62 8.31 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -114.88 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD11 HG23 ' A' ' 90' ' ' VAL . 11.7 mt -66.98 120.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.32 100.45 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.503 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.3 mp -79.55 114.64 18.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.95 121.68 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.5 t -96.2 118.0 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -108.39 -32.26 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.34 146.53 45.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.12 3.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.34 0.27 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.28 146.44 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.7 tp -126.28 126.6 44.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.69 141.34 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 63' ' ' VAL . 1.3 p -138.35 127.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -128.08 137.65 52.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CE2' ' O ' ' A' ' 61' ' ' SER . 47.0 p90 -134.34 172.59 12.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.5 m -102.73 112.02 65.32 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.55 40.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -171.27 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.1 tm? -89.4 -49.82 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.91 164.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.468 HH12 ' HB2' ' A' ' 83' ' ' ALA . 5.8 tmm_? -83.22 114.58 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG22 ' CE1' ' A' ' 82' ' ' TYR . 61.7 t -107.76 124.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' NH1' ' A' ' 34' ' ' ARG . 18.6 mt -62.77 -65.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.577 ' CE1' HG12 ' A' ' 81' ' ' ILE . 8.4 p80 -141.33 167.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -113.5 100.75 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -73.61 101.31 3.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.791 HD21 HG13 ' A' ' 76' ' ' VAL . 1.3 tt -96.15 135.22 38.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' HB3' ' A' ' 53' ' ' SER . 5.6 p -135.16 104.88 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.956 ' CD1' HD22 ' A' ' 65' ' ' LEU . 50.5 p90 -98.15 142.84 29.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.33 152.79 31.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' ALA . 53.7 Cg_endo -69.78 91.24 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -34.11 -52.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' ALA . 3.3 m -35.77 -48.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.04 59.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.7 mt -132.53 -40.42 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.43 169.74 19.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -177.6 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.17 121.32 44.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 69.2 mmtt -97.65 163.22 12.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.605 ' HB3' HG22 ' A' ' 41' ' ' THR . 97.4 p -144.08 133.16 22.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.441 HG13 ' HE1' ' A' ' 42' ' ' TYR . 28.8 m -125.04 133.58 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -79.7 144.47 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 57' ' ' PRO . 79.5 t -138.81 136.46 18.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 111.088 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.1 Cg_endo -69.81 119.79 6.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.627 2.218 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -42.31 -37.49 2.46 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.29 -44.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.503 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.8 ptp180 -107.15 160.7 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.439 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 51.8 p -123.96 31.51 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 61' ' ' SER . 1.3 m80 -151.09 148.68 28.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.573 ' CG1' HD13 ' A' ' 40' ' ' LEU . 5.2 p -163.02 152.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 m -105.24 144.73 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.956 HD22 ' CD1' ' A' ' 42' ' ' TYR . 9.3 mt -109.23 94.89 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.78 178.63 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 58.11 53.84 6.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 20.9 mt -117.82 168.26 10.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -105.59 -178.41 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.75 159.39 15.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 44.43 47.84 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -155.01 112.0 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.587 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -69.17 175.55 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 38.2 m-85 -152.58 123.82 7.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.52 96.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.791 HG13 HD21 ' A' ' 40' ' ' LEU . 92.8 t -85.38 116.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.22 109.22 20.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.618 HG22 ' HG ' ' A' ' 40' ' ' LEU . 9.8 t -108.6 137.19 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 41.9 m -138.66 128.24 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.536 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.5 131.53 37.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.611 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -99.27 134.17 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.7 ' CE1' HG22 ' A' ' 35' ' ' VAL . 95.9 m-85 -125.87 162.17 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.468 ' HB2' HH12 ' A' ' 34' ' ' ARG . . . -47.11 -45.09 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.25 -54.59 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' CD ' ' A' ' 8' ' ' ARG . . . -172.76 165.0 37.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -83.79 145.56 28.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -79.97 174.48 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.22 175.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.66 128.93 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.68 HG21 ' O ' ' A' ' 11' ' ' PRO . 8.4 m -99.85 127.22 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 p -87.89 159.62 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.95 117.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 p -95.79 124.23 39.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.503 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -132.58 107.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -58.81 128.32 36.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.366 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -67.63 177.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.44 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -80.76 156.39 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 69.1 m -109.31 151.61 42.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -2.76 10.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m -77.71 145.65 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.95 -173.52 18.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.07 10.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.295 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.6 m -114.66 124.85 52.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 t 58.18 41.87 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.541 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -78.74 142.11 37.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -113.82 150.62 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 92.27 -108.19 3.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.9 p -38.08 123.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -90.42 145.55 24.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.68 -69.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.562 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 46.6 mtm180 -91.95 138.62 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 t -129.47 119.69 19.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 158.14 58.03 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.2 Cg_endo -69.82 123.91 10.55 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -114.79 178.05 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 63.46 37.56 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 90' ' ' VAL . 13.4 mt -61.74 126.48 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.65 109.04 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.604 HD23 HD21 ' A' ' 24' ' ' LEU . 8.4 mp -94.1 115.19 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.85 128.33 56.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 12.4 t -102.78 118.09 36.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.486 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.2 pt-20 -114.45 -20.54 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.486 HG22 ' CG ' ' A' ' 19' ' ' GLU . 1.4 t -155.86 145.41 15.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.551 0.691 . . . . 0.0 111.184 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.545 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.72 5.77 1.56 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -110.33 -16.27 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.452 ' HB2' HG22 ' A' ' 64' ' ' THR . 99.4 p -153.87 157.93 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD21 HD23 ' A' ' 16' ' ' LEU . 5.9 tp -134.3 119.72 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.3 tp-100 -72.09 141.65 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.634 HG21 HG11 ' A' ' 76' ' ' VAL . 7.4 p -148.7 128.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -133.23 172.09 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CH2' HD12 ' A' ' 40' ' ' LEU . 29.9 p90 -164.42 178.32 7.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 m -104.28 115.58 62.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 140.5 42.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -164.36 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.4 pt? -104.36 -28.52 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.3 145.49 40.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 115.54 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.697 HG22 ' CE1' ' A' ' 82' ' ' TYR . 88.9 t -109.68 120.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 mt -62.99 -61.53 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.53 ' CE1' HG12 ' A' ' 81' ' ' ILE . 5.3 p80 -146.67 169.44 19.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 51.9 m-85 -115.21 99.77 7.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -69.01 101.27 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.601 HD22 HD21 ' A' ' 65' ' ' LEU . 1.3 tt -98.53 136.42 38.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 53' ' ' SER . 2.9 p -139.05 105.68 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.691 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.1 p90 -98.78 151.3 20.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.867 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -150.36 169.11 9.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.867 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.317 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.22 34.1 21.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.1 t -153.37 141.57 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.0 52.21 3.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 49' ' ' GLY . 4.3 pp -118.85 -41.61 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.696 ' N ' HD12 ' A' ' 48' ' ' LEU . . . -123.06 174.35 16.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 172.56 12.45 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 4.3 pt-20 -116.98 126.74 53.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 18.8 mmtp -79.19 166.9 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.431 ' HB3' HG22 ' A' ' 41' ' ' THR . 78.8 p -145.65 147.75 32.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.454 HG13 ' HE1' ' A' ' 42' ' ' TYR . 24.8 m -143.2 147.22 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -93.11 148.04 22.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 57' ' ' PRO . 88.8 t -139.4 138.62 20.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.2 Cg_endo -69.78 108.42 2.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.632 2.221 . . . . 0.0 112.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -36.71 -30.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -46.19 -47.56 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.297 . . . . 0.0 111.068 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.506 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.1 ptp180 -100.34 165.95 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 p -125.04 25.87 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -150.01 149.87 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.623 HG22 ' H ' ' A' ' 64' ' ' THR . 1.9 p -158.8 173.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.623 ' H ' HG22 ' A' ' 63' ' ' VAL . 3.1 m -129.24 135.91 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.691 HD22 ' CD1' ' A' ' 42' ' ' TYR . 10.4 mt -104.13 95.24 7.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.71 177.31 5.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.258 . . . . 0.0 112.337 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.1 t0 61.35 54.83 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 15.7 mt -114.0 176.71 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -111.73 -174.95 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 21' ' ' PRO . . . -115.23 132.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . 72.24 45.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.5 m -158.52 106.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -57.85 178.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 51.8 m-85 -154.48 120.05 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.71 ' HD3' HD11 ' A' ' 77' ' ' LEU . 12.3 ttt180 -69.95 99.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.634 HG11 HG21 ' A' ' 26' ' ' VAL . 89.6 t -88.16 113.57 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.71 HD11 ' HD3' ' A' ' 75' ' ' ARG . 4.3 mp -104.54 117.05 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.615 HG12 ' HG3' ' A' ' 11' ' ' PRO . 7.7 t -116.52 133.97 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 51.0 m -136.85 124.22 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -76.12 127.21 32.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.587 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -92.91 149.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.697 ' CE1' HG22 ' A' ' 35' ' ' VAL . 85.5 m-85 -142.92 161.23 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.38 -48.97 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.0 -55.28 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.1 38.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.2 ptt85 -85.86 145.09 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.1 p -76.77 175.4 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.15 176.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.54 131.6 56.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.545 HG23 HD11 ' A' ' 14' ' ' LEU . 3.7 m -104.1 120.74 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -89.04 154.33 20.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -160.96 116.76 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.2 p -90.99 125.56 35.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -130.72 107.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.06 126.15 24.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -71.95 -179.83 2.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -80.49 136.7 36.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 p -67.34 150.43 97.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -7.15 20.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.392 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.8 t -125.97 62.85 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.17 142.45 9.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 100.97 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.4 t -137.8 144.73 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.7 m -118.18 162.31 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -104.7 42.49 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -136.6 114.47 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.24 -96.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -90.9 43.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -40.73 145.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.87 -63.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 23.9 mtm180 -45.5 130.21 8.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -117.33 116.04 37.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.76 55.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.616 2.211 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.524 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.78 124.83 11.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -117.99 178.14 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 62.67 38.36 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD11 HG23 ' A' ' 90' ' ' VAL . 11.2 mt -63.43 121.57 14.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.3 103.72 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 HD23 HD21 ' A' ' 24' ' ' LEU . 8.5 mp -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.86 128.31 56.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.9 t -102.64 114.97 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.578 ' CG ' HG22 ' A' ' 20' ' ' THR . 4.9 pt-20 -108.42 -30.51 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.578 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -141.71 144.47 33.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.37 2.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.296 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.18 -4.41 12.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' THR . 4.9 m -157.76 153.83 27.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD21 HD23 ' A' ' 16' ' ' LEU . 7.4 tp -133.01 120.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -81.9 139.41 34.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.1 p -143.22 126.61 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -123.58 169.94 10.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.73 171.29 15.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 m -96.28 105.66 23.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.62 30.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.89 3.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -85.32 -46.0 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.84 156.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -73.08 111.06 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' CE1' ' A' ' 38' ' ' TYR . 53.0 t -106.64 105.46 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -48.7 -66.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.58 ' CE1' HG12 ' A' ' 81' ' ' ILE . 7.7 p80 -140.52 161.56 37.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.66 ' CE1' HG11 ' A' ' 35' ' ' VAL . 62.0 m-85 -110.02 95.75 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -61.64 99.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.605 HD13 HG11 ' A' ' 63' ' ' VAL . 1.4 tt -94.18 146.13 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.594 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.8 p -152.25 105.14 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.566 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.5 p90 -95.63 156.47 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.793 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -156.21 166.88 15.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.577 0.703 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.793 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.77 3.58 2.7 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 44' ' ' PRO . . . 67.08 41.13 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -169.62 140.22 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.83 62.19 4.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mt -124.9 -45.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.59 -179.9 22.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 169.37 19.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -120.13 139.56 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 40.6 mmtt -100.48 178.23 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.594 ' HB3' HG22 ' A' ' 41' ' ' THR . 84.5 p -163.46 127.68 2.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.3 m -126.94 140.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.4 t -85.33 144.82 27.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.555 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.7 t -132.38 135.79 26.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.555 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.84 110.26 2.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.36 -33.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.494 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -42.19 -48.94 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -103.33 152.8 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -111.13 33.64 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -162.68 153.24 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.605 HG11 HD13 ' A' ' 40' ' ' LEU . 7.6 p -159.05 151.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.8 m -100.61 137.91 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 42' ' ' TYR . 22.8 mt -107.4 96.29 15.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.86 179.93 3.4 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.616 2.211 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 57.51 51.79 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.603 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 13.0 mt -112.52 163.21 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -98.27 -179.09 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.48 143.52 38.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 61.1 42.39 12.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 88.1 m -152.03 105.21 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CD ' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -56.83 173.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.603 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 46.2 m-85 -151.96 114.45 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -70.18 104.91 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 HD21 ' A' ' 40' ' ' LEU . 88.9 t -87.94 117.36 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mp -106.22 114.18 28.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.5 t -114.17 151.72 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.508 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 45.1 m -155.4 124.5 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.521 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -75.18 128.41 35.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.592 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -99.05 125.2 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CE1' HG22 ' A' ' 35' ' ' VAL . 61.0 m-85 -118.87 165.3 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.45 -48.21 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -51.79 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.58 169.21 41.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -88.79 143.58 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.8 p -75.02 174.04 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -52.94 170.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.23 123.94 49.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 11' ' ' PRO . 15.1 m -97.59 127.68 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 p -94.03 157.03 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.18 114.44 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -90.85 136.55 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.432 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -141.64 107.08 0.49 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.52 133.61 55.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -76.58 -178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.85 143.48 32.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 p -88.74 148.51 41.8 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -41.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.3 p -145.94 145.92 30.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -150.7 -156.52 7.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -17.28 37.65 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.35 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -79.41 -10.26 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.7 t -79.1 -46.38 18.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -100.83 143.37 31.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -60.49 161.24 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.33 87.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 p -110.8 83.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -102.06 -45.11 5.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.57 156.33 9.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.4 mtm-85 -72.33 126.03 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.344 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -123.68 123.46 26.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 155.55 65.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.9 Cg_endo -69.75 126.7 13.62 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.707 2.271 . . . . 0.0 112.383 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.8 m -115.33 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 63.14 34.56 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.717 HD11 HG23 ' A' ' 90' ' ' VAL . 12.4 mt -59.4 128.01 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.2 112.19 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 24' ' ' LEU . 9.2 mp -94.92 114.28 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.11 130.83 56.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 21.2 t -102.78 121.61 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 20' ' ' THR . 9.8 pt-20 -117.77 -21.42 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -150.3 144.48 17.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 2.77 3.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -2.54 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.594 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -160.28 152.17 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.707 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.9 tp -131.49 128.56 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.38 145.25 30.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 76' ' ' VAL . 2.6 p -147.82 133.4 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.9 p -134.56 169.51 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 61' ' ' SER . 35.2 p90 -165.04 174.88 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 m -100.2 115.68 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.542 0.686 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.76 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -164.13 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.4 pt? -101.1 -30.78 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.75 156.16 53.4 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -67.27 114.21 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.82 HG11 ' CE1' ' A' ' 38' ' ' TYR . 90.8 t -107.37 104.45 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 mt -51.04 -62.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.52 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.0 p80 -146.6 152.29 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.82 ' CE1' HG11 ' A' ' 35' ' ' VAL . 83.5 m-85 -100.44 94.57 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.428 ' HB2' HD11 ' A' ' 81' ' ' ILE . 26.3 t-105 -59.1 106.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.662 HD22 HD21 ' A' ' 65' ' ' LEU . 1.4 tt -100.28 146.38 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 53' ' ' SER . 6.7 p -152.66 104.99 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.486 ' CD1' HD22 ' A' ' 65' ' ' LEU . 47.1 p90 -94.77 166.27 12.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -169.57 168.8 4.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.076 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo -69.74 4.1 2.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.003 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . . . 63.23 37.86 10.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -173.62 146.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.3 75.06 1.62 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.7 mt -134.16 -52.39 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.71 176.11 20.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -103.8 153.4 20.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 46.9 mmtt -117.82 -179.19 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.512 ' HB3' HG22 ' A' ' 41' ' ' THR . 93.3 p -168.53 134.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.18 133.58 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.7 t -78.29 134.05 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.45 126.55 24.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 125.1 11.71 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.318 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -40.54 -37.73 1.3 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.82 -46.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -106.92 151.88 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 10.9 t -108.18 16.34 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -152.28 163.02 40.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 p -166.02 158.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -102.47 145.06 30.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.662 HD21 HD22 ' A' ' 40' ' ' LEU . 9.1 mt -116.02 94.92 43.13 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 179.13 3.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.291 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.61 52.04 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 24' ' ' LEU . 21.7 mt -107.89 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -105.16 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.547 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -107.46 143.89 35.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 43.39 50.01 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.8 m -151.27 104.98 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 1.003 ' HE2' ' HB3' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -50.75 174.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' CE1' HD22 ' A' ' 68' ' ' LEU . 34.4 m-85 -153.68 114.14 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.43 102.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 26' ' ' VAL . 59.2 t -92.33 105.71 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.95 109.34 22.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.28 138.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 m -134.84 129.34 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.12 121.04 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.751 HD13 ' HB3' ' A' ' 86' ' ' ARG . 14.2 mm -90.74 146.24 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.61 ' CE1' HG22 ' A' ' 35' ' ' VAL . 67.3 m-85 -139.7 164.42 29.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.57 -50.26 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.63 -53.3 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -163.98 -160.53 11.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.751 ' HB3' HD13 ' A' ' 81' ' ' ILE . 4.6 ptt180 -122.8 142.87 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -71.16 174.44 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -53.96 -177.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.7 130.7 55.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.717 HG23 HD11 ' A' ' 14' ' ' LEU . 5.1 m -105.18 125.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 p -90.42 159.44 16.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.67 113.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.5 p -89.61 137.61 32.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.42 103.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -51.58 130.35 27.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -76.3 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -81.41 135.49 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.4 p -85.71 149.88 52.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.611 0.719 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.547 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 54.0 Cg_endo -69.72 102.08 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.755 2.304 . . . . 0.0 112.335 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.7 t -96.91 -47.07 5.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.17 160.77 8.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' SER . 53.9 Cg_endo -69.72 2.45 3.5 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.681 2.254 . . . . 0.0 112.385 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' PRO . 16.4 t -38.05 113.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.3 t -99.5 108.11 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -166.16 148.1 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -108.99 42.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.91 177.52 51.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -119.83 83.71 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 m -64.76 -45.55 85.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.39 141.16 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 56.6 mtm-85 -109.39 141.45 41.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -142.76 120.85 7.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 161.79 44.58 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.53 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.84 130.33 19.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -119.78 178.08 4.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 64.54 36.8 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 92' ' ' ALA . 16.5 mt -60.09 130.4 46.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.01 97.93 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 mp -85.79 115.79 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.75 135.35 54.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.4 t -110.8 112.32 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -108.25 -31.93 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.9 147.0 57.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -122.07 1.9 9.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.61 151.76 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' C ' HG23 ' A' ' 64' ' ' THR . 6.2 tp -137.87 115.53 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.597 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.9 tp-100 -68.18 140.95 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.82 HG21 HG11 ' A' ' 76' ' ' VAL . 2.4 p -147.59 115.13 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -122.78 169.99 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CH2' HD12 ' A' ' 40' ' ' LEU . 39.1 p90 -165.23 174.15 10.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -105.34 118.92 54.54 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.5 Cg_endo -69.78 142.5 48.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.6 pt? -93.52 -25.87 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.59 149.64 43.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' NE ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -67.75 110.15 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.734 HG22 ' CE1' ' A' ' 82' ' ' TYR . 62.6 t -101.51 120.07 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' NE ' ' A' ' 34' ' ' ARG . 53.7 mt -63.36 -67.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.543 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.1 p80 -136.31 151.66 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CE1' HG11 ' A' ' 35' ' ' VAL . 32.0 m-85 -99.7 97.86 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -70.23 99.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.713 HD13 HG11 ' A' ' 63' ' ' VAL . 1.8 tt -96.29 133.52 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.716 HG22 ' HB3' ' A' ' 53' ' ' SER . 17.1 p -135.88 104.22 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.808 ' CD1' HD22 ' A' ' 65' ' ' LEU . 45.4 p90 -96.82 164.81 12.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.857 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -162.28 168.97 9.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.857 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.2 Cg_endo -69.78 3.51 2.73 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.26 . . . . 0.0 112.388 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.58 27.48 16.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -170.9 149.37 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.56 69.02 0.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.63 -52.55 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.96 179.45 16.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.43 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.25 25.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.617 ' CD ' ' HB2' ' A' ' 43' ' ' ALA . 14.9 tp10 -99.26 139.62 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 22.8 mmtm -107.67 173.53 6.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.716 ' HB3' HG22 ' A' ' 41' ' ' THR . 52.0 p -161.05 115.23 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 54' ' ' VAL . 33.5 m -109.35 127.5 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.3 t -76.18 139.72 41.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.583 HG13 ' HD2' ' A' ' 57' ' ' PRO . 98.3 t -134.45 136.78 26.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.583 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 118.34 5.62 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.388 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -42.32 -30.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.71 -45.12 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -107.72 150.55 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.451 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 35.6 p -115.93 26.72 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.51 ' CD2' ' N ' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -141.02 144.12 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 40' ' ' LEU . 1.8 p -160.89 168.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.515 HG23 ' C ' ' A' ' 24' ' ' LEU . 7.8 m -132.92 144.71 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.808 HD22 ' CD1' ' A' ' 42' ' ' TYR . 14.4 mt -103.13 95.92 7.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.82 179.8 3.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.285 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 t0 50.96 54.95 10.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.674 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 14.0 mt -110.29 -176.44 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -114.05 -175.08 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -111.56 150.16 30.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.39 52.39 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.1 m -162.67 105.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -58.38 172.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.674 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 27.4 m-85 -147.05 109.12 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -60.89 99.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 26' ' ' VAL . 79.8 t -87.65 109.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -102.26 109.35 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.542 HG22 ' HG ' ' A' ' 40' ' ' LEU . 17.6 t -106.8 143.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -141.33 132.48 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.9 119.18 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' A' ' 86' ' ' ARG . 8.8 mm -90.55 134.5 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.734 ' CE1' HG22 ' A' ' 35' ' ' VAL . 90.0 m-85 -128.54 165.88 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.47 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.01 -50.96 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.35 -168.75 32.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.647 ' HB3' HD13 ' A' ' 81' ' ' ILE . 9.6 ptt180 -115.21 138.55 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.6 p -66.63 176.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.0 -176.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.59 121.75 40.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 11' ' ' PRO . 9.4 m -95.18 123.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 p -89.74 160.42 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -169.6 119.07 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.3 p -96.98 129.05 44.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -132.13 90.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -40.41 134.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.427 HG22 HD13 ' A' ' 24' ' ' LEU . 18.7 p -79.46 -175.53 4.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.21 154.49 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 21.0 p -107.89 144.5 29.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.729 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.443 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 53.2 Cg_endo -69.83 -50.58 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.286 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t 61.02 39.74 16.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.04 -177.07 39.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -37.47 9.11 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.4 m -42.1 -43.96 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.5 t -120.37 151.76 38.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 28.4 t -37.6 154.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -115.85 119.16 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 172.41 32.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -47.26 -47.13 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -128.37 163.24 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.65 -177.06 25.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.46 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 32.8 mtt180 -68.49 116.43 9.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -112.75 119.85 42.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 158.49 56.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.7 140.28 42.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -131.12 177.6 7.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.33 37.29 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 92' ' ' ALA . 11.7 mt -62.29 126.58 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.03 106.29 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.587 HD23 HD21 ' A' ' 24' ' ' LEU . 8.3 mp -89.72 114.48 26.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.91 121.34 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.8 t -98.7 116.5 31.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' A' ' 20' ' ' THR . 5.1 pt-20 -111.68 -26.55 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.565 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -144.62 144.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 53.2 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.22 -0.45 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -159.34 146.11 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.614 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.2 tp -130.01 119.68 23.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -77.94 137.15 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.589 HG21 HG11 ' A' ' 76' ' ' VAL . 2.8 p -140.98 125.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.8 p -127.61 161.89 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.408 ' CH2' HD12 ' A' ' 40' ' ' LEU . 42.1 p90 -157.34 170.78 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.7 m -93.68 113.41 60.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 61' ' ' SER . 53.2 Cg_endo -69.83 137.97 36.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -175.31 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.3 tm? -95.96 -42.58 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.15 137.72 40.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -55.85 102.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.79 124.3 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD12 HG22 ' A' ' 81' ' ' ILE . 23.1 mt -55.21 -65.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -146.76 176.46 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 42.4 m-85 -116.89 101.71 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -71.11 103.17 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.618 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.3 tt -97.48 134.39 40.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.735 HG22 ' OG ' ' A' ' 53' ' ' SER . 13.6 p -134.98 89.81 2.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.599 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.9 p90 -86.42 143.08 27.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -154.61 154.91 30.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.541 0.686 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' ALA . 53.5 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . . . -34.17 -36.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' PRO . 4.8 t -36.89 -51.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.21 -22.97 24.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -86.82 47.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -171.95 153.9 20.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 166.51 27.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -106.36 149.9 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -111.01 177.42 4.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.735 ' OG ' HG22 ' A' ' 41' ' ' THR . 45.5 m -154.21 116.39 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 65' ' ' LEU . 34.9 m -119.6 132.33 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -78.98 146.7 33.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.7 t -134.83 136.85 26.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.596 ' HD2' HG13 ' A' ' 56' ' ' VAL . 54.3 Cg_endo -69.74 113.37 3.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.58 -42.3 0.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.9 -46.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.513 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 14.1 ptp180 -105.04 155.35 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.45 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 24.2 p -113.43 33.21 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 62' ' ' HIS . 2.0 p-80 -161.31 166.66 27.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.6 159.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 3.1 m -107.05 131.0 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 42' ' ' TYR . 23.7 mt -101.78 97.53 8.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.76 178.93 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 54.59 52.06 12.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 24' ' ' LEU . 12.4 mt -110.48 160.4 16.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -93.74 178.56 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . . . -106.91 149.51 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 50.59 43.63 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 61.0 m -152.37 106.95 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.544 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -60.51 174.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CE1' HD22 ' A' ' 68' ' ' LEU . 37.5 m-85 -148.36 113.71 5.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ALA . 7.0 ttm180 -61.45 95.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.589 HG11 HG21 ' A' ' 26' ' ' VAL . 71.8 t -82.86 116.78 27.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.89 107.62 16.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.618 HG22 ' HG ' ' A' ' 40' ' ' LEU . 43.4 t -105.38 146.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 132.79 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.501 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -85.54 119.99 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.45 121.73 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CE2' ' HA ' ' A' ' 8' ' ' ARG . 80.6 m-85 -113.08 168.72 9.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.11 -49.47 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.44 -178.07 41.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -106.25 137.46 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.4 p -72.06 172.71 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -53.66 175.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.83 126.07 54.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.435 HG23 HD11 ' A' ' 14' ' ' LEU . 12.7 m -98.97 128.3 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.0 p -88.65 158.48 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -163.69 110.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -91.56 133.52 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.474 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -145.03 103.28 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -52.99 142.4 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 HD13 ' A' ' 24' ' ' LEU . 7.7 p -88.59 174.68 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -80.87 174.27 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.085 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.5 p -103.94 152.58 39.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 70' ' ' ALA . 54.0 Cg_endo -69.76 -32.42 18.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 t 67.55 44.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 54.57 -119.22 11.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -41.88 3.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.407 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -65.27 161.26 19.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.4 m -132.0 171.05 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -81.31 83.82 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -69.05 154.19 42.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.42 167.17 42.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -105.52 175.33 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -65.09 124.29 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.43 -47.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 49.4 mtm180 -72.8 132.52 43.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -132.01 120.41 17.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.71 59.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.515 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.78 129.69 18.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -118.15 178.09 4.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 62.46 39.54 11.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 HG23 ' A' ' 90' ' ' VAL . 12.6 mt -64.01 127.87 33.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.0 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD23 HD21 ' A' ' 24' ' ' LEU . 9.6 mp -94.08 117.24 29.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -113.92 117.32 31.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -98.75 105.28 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -97.23 -21.59 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.82 147.48 27.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 2.95 3.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.0 -2.71 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.39 153.75 33.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.655 HD21 HD23 ' A' ' 16' ' ' LEU . 7.9 tp -137.99 110.84 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 2.8 tt0 -71.65 149.98 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 76' ' ' VAL . 2.7 p -151.97 131.38 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -128.58 170.45 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -168.03 167.74 12.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.403 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 97.6 m -96.0 110.92 54.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 29' ' ' THR . 54.4 Cg_endo -69.67 142.24 47.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.48 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.8 tt -104.68 -36.82 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.33 150.99 14.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -64.71 99.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 81' ' ' ILE . 1.4 p -102.38 119.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.8 mt -56.07 -65.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.553 ' CE1' HG13 ' A' ' 81' ' ' ILE . 8.2 p80 -145.58 176.8 9.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.93 97.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -64.53 99.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.3 tt -90.54 142.34 27.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 p -144.9 105.01 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.644 ' CD2' HD22 ' A' ' 65' ' ' LEU . 41.0 p90 -101.69 155.74 17.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -154.07 169.04 10.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 111.044 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo -69.8 3.21 2.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . . . 58.12 32.37 21.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.1 p -157.05 144.12 18.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.2 67.2 2.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 mt -132.59 -49.91 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.92 171.58 14.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 163.38 38.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.767 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 22.9 tt0 -99.11 134.21 42.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.497 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 40.2 mmtt -86.46 -177.86 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.14 122.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.3 135.05 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.8 t -79.75 148.89 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 57' ' ' PRO . 91.3 t -130.95 137.37 30.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.65 0.738 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.616 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.79 110.95 2.69 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' ALA . . . -35.53 -44.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -34.01 -46.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.505 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 4.5 ptp180 -104.3 161.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.9 p -117.49 30.39 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -161.22 166.72 27.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 40' ' ' LEU . 6.9 p -171.03 152.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -101.98 140.28 36.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.644 HD22 ' CD2' ' A' ' 42' ' ' TYR . 14.9 mt -108.21 95.39 15.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.63 4.35 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.293 . . . . 0.0 112.375 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.0 54.31 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 24' ' ' LEU . 24.0 mt -113.61 169.5 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -98.24 -175.09 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -110.34 155.79 21.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 42.57 32.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -136.98 106.29 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -57.48 173.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.463 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 27.5 m-85 -149.04 109.77 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 45' ' ' ALA . 3.5 ttm105 -57.73 104.68 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 26' ' ' VAL . 53.2 t -95.38 111.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mp -108.27 110.8 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 t -107.66 151.47 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.71 134.42 16.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.78 117.06 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.1 mm -86.56 135.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 73.1 m-85 -130.27 162.47 28.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.49 -52.27 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.24 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.16 -174.2 35.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' CB ' HD13 ' A' ' 81' ' ' ILE . 7.1 ptt-85 -107.75 141.91 38.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -69.36 178.33 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.37 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.0 123.32 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 14' ' ' LEU . 10.9 m -100.76 117.11 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -87.67 166.37 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.2 116.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -92.05 125.53 36.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.75 92.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 31.6 tt0 -47.34 120.9 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 p -60.73 -176.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.05 149.95 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 23.9 p -93.76 143.61 26.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.78 94.14 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.273 . . . . 0.0 112.308 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 87.1 p -102.15 164.36 11.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.05 151.25 9.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 160.08 51.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.8 t -74.79 103.47 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.5 t -71.9 -57.49 4.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -77.93 -61.36 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.376 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -78.44 -58.85 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.42 -121.9 1.47 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -82.8 -47.86 11.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -108.56 177.49 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.8 -99.86 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 71.3 mtm180 -124.52 131.64 53.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -118.09 121.9 30.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.696 0.76 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 157.3 60.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 127.79 15.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -113.29 177.83 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 62.25 46.46 6.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 92' ' ' ALA . 12.3 mt -65.43 131.04 45.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.65 112.1 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 24' ' ' LEU . 8.8 mp -93.88 105.08 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.79 124.39 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.733 ' CB ' HD12 ' A' ' 24' ' ' LEU . 2.4 p -100.77 123.78 45.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.418 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 5.2 mt-10 -102.68 -18.58 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.56 148.8 32.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.521 0.677 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -121.0 -0.46 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -157.33 149.32 22.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.733 HD12 ' CB ' ' A' ' 18' ' ' SER . 6.9 tp -125.17 124.82 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.4 tt0 -84.53 142.44 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG21 HG11 ' A' ' 76' ' ' VAL . 6.8 p -143.48 137.81 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.3 p -135.8 174.65 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -170.2 168.03 8.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.2 m -92.89 106.73 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.34 42.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -165.23 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.5 pt? -104.74 -27.07 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.89 150.23 46.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.19 106.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.716 HG22 ' CE1' ' A' ' 82' ' ' TYR . 89.9 t -105.16 117.22 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.85 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.527 ' CE1' HG12 ' A' ' 81' ' ' ILE . 3.1 p80 -140.67 176.76 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE1' HG11 ' A' ' 35' ' ' VAL . 28.8 m-85 -123.07 92.29 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -61.19 110.24 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.2 tt -104.33 138.86 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.723 HG22 ' OG ' ' A' ' 53' ' ' SER . 2.1 p -140.95 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.435 ' CD1' HD22 ' A' ' 65' ' ' LEU . 54.9 p90 -102.6 161.55 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -173.23 164.07 3.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo -69.85 99.89 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.4 -33.95 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' GLY . 43.5 m -88.65 38.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' SER . . . 34.15 76.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 mt -124.45 36.9 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 132.73 -171.25 21.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -176.87 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -117.73 144.52 45.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 20.8 mmtp -106.73 177.31 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.723 ' OG ' HG22 ' A' ' 41' ' ' THR . 6.5 m -154.73 123.98 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.67 135.0 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -81.3 142.35 33.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.657 HG13 ' HD2' ' A' ' 57' ' ' PRO . 92.7 t -128.99 138.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.657 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.7 Cg_endo -69.78 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -35.93 -43.16 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -35.26 -43.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 4.5 ptp180 -107.08 142.91 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.7 p -102.67 33.08 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -163.69 155.51 17.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.537 HG11 HD13 ' A' ' 40' ' ' LEU . 7.5 p -160.56 154.48 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -104.66 135.3 46.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD22 ' CD1' ' A' ' 42' ' ' TYR . 13.2 mt -105.27 95.29 9.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 179.36 3.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 t0 58.28 54.82 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 HD22 ' CZ ' ' A' ' 74' ' ' TYR . 21.0 mt -120.78 168.8 11.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' O ' HG21 ' A' ' 96' ' ' THR . 6.4 mm100 -102.74 174.97 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.471 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -102.37 152.49 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 54.78 37.09 27.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.445 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 58.8 m -148.94 105.46 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' CA ' ' HA ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -62.16 174.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.484 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 64.6 m-85 -151.36 119.26 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -64.68 100.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.677 HG13 HD21 ' A' ' 40' ' ' LEU . 71.9 t -92.05 107.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mp -103.26 117.54 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.724 HG22 ' HG ' ' A' ' 40' ' ' LEU . 42.1 t -115.3 146.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -142.06 132.32 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.476 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -80.77 127.6 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.621 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -95.86 144.24 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.716 ' CE1' HG22 ' A' ' 35' ' ' VAL . 89.6 m-85 -138.67 170.38 16.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.3 -44.76 80.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.31 30.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.99 169.86 39.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -89.43 145.95 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 p -77.57 177.01 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -52.57 -179.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.01 129.33 55.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.01 121.27 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -90.61 165.21 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -172.76 129.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.415 ' C ' HD22 ' A' ' 16' ' ' LEU . 30.7 p -98.26 140.47 32.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.463 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -150.1 100.42 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 42.7 tt0 -52.65 130.58 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 69' ' ' GLN . 19.7 p -64.37 -177.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 122.2 27.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.4 t -85.42 136.85 37.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.471 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 53.7 Cg_endo -69.8 -46.57 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.2 p -155.68 135.99 13.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -97.6 150.3 19.45 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 91.28 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -139.05 124.21 19.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 m -100.34 105.22 16.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -113.48 107.49 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -146.04 150.05 35.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.16 -166.3 36.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -74.75 143.71 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -130.37 101.9 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.68 28.08 9.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.56 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 72.4 mtm180 -150.78 140.66 21.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -143.88 119.39 6.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 156.57 62.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.16 12.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -115.34 177.43 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 62.34 34.76 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.672 HD11 HG23 ' A' ' 90' ' ' VAL . 12.6 mt -56.62 125.98 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.71 110.88 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.664 HD23 ' HA3' ' A' ' 94' ' ' GLY . 8.8 mp -95.5 117.59 30.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.75 129.56 56.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -109.39 104.2 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HG3' HG22 ' A' ' 20' ' ' THR . 12.4 pt-20 -97.65 -19.76 18.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.587 HG22 ' HG3' ' A' ' 19' ' ' GLU . 1.1 t -158.82 146.17 13.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 0.0 111.151 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 54.0 Cg_endo -69.79 6.1 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.06 -24.58 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.527 ' HB2' HG22 ' A' ' 64' ' ' THR . 51.0 p -144.93 150.85 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 68' ' ' LEU . 11.3 tp -126.56 118.63 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.39 140.12 36.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 76' ' ' VAL . 3.9 p -146.35 127.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -126.95 179.69 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -172.12 172.7 4.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.6 m -98.85 111.74 61.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 138.12 37.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -164.12 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.7 tp -93.58 -49.03 6.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.43 156.47 5.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.559 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -72.08 122.28 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.346 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.663 HG11 ' CE1' ' A' ' 38' ' ' TYR . 77.8 t -108.18 97.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.15 -58.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.531 ' NE2' HG21 ' A' ' 81' ' ' ILE . 7.7 p80 -151.89 159.82 43.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.663 ' CE1' HG11 ' A' ' 35' ' ' VAL . 47.1 m-85 -104.86 97.82 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -65.17 100.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD13 HG11 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -96.52 143.26 27.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.621 HG22 ' HB3' ' A' ' 53' ' ' SER . 6.8 p -145.9 110.44 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.511 ' HE1' HG13 ' A' ' 54' ' ' VAL . 25.6 p90 -111.8 148.0 34.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.765 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -174.79 165.85 2.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.765 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo -69.74 109.37 2.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.0 -40.73 58.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.29 -34.94 11.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.64 63.42 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.22 10.12 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.4 -177.83 28.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 178.99 3.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -114.17 123.67 50.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -92.2 173.7 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.621 ' HB3' HG22 ' A' ' 41' ' ' THR . 60.1 p -167.04 124.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.511 HG13 ' HE1' ' A' ' 42' ' ' TYR . 33.4 m -122.76 130.61 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -78.77 147.91 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.505 HG13 ' HD2' ' A' ' 57' ' ' PRO . 84.5 t -141.05 134.84 14.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.75 118.92 5.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.566 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.55 -35.86 0.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.17 -40.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -106.86 151.83 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -114.85 23.39 12.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -152.7 153.92 34.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.581 HG11 HD13 ' A' ' 40' ' ' LEU . 7.8 p -162.01 158.52 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 23' ' ' SER . 19.1 m -115.39 137.98 51.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' CG ' ' A' ' 42' ' ' TYR . 18.4 mt -104.91 95.39 8.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.76 -178.46 2.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 54.62 55.01 8.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 74' ' ' TYR . 34.2 mt -116.58 166.46 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -98.16 -174.78 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -114.58 148.73 37.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 57.24 53.92 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.8 m -156.37 145.04 20.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -88.96 172.9 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 51.4 m-85 -157.21 112.18 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' CD ' HD11 ' A' ' 77' ' ' LEU . 8.1 ttm180 -69.55 93.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.586 HG11 HG21 ' A' ' 26' ' ' VAL . 99.3 t -81.35 100.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD11 ' CD ' ' A' ' 75' ' ' ARG . 2.4 mp -97.1 106.95 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG22 ' HG ' ' A' ' 40' ' ' LEU . 9.9 t -107.07 139.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -136.46 141.06 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.78 122.63 31.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 86' ' ' ARG . 11.5 mm -93.63 135.98 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 72.8 m-85 -130.82 161.29 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.79 -46.13 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.52 -52.13 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.31 -169.11 30.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.758 ' HB3' HD13 ' A' ' 81' ' ' ILE . 7.7 ptt180 -115.46 136.95 52.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.8 p -66.79 177.17 1.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.72 -178.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.62 131.63 55.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.672 HG23 HD11 ' A' ' 14' ' ' LEU . 3.6 m -102.99 124.85 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 p -87.36 155.58 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -162.16 118.38 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.9 p -95.18 118.49 32.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.664 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -126.42 96.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -54.83 132.72 46.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 p -68.53 177.03 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.53 130.19 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.88 134.79 49.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.714 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.8 -177.32 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.319 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.5 p -95.51 -51.0 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.95 -154.99 17.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -34.11 15.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.361 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.0 p -80.11 138.72 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 m -119.09 81.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -111.8 131.79 55.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -169.74 167.25 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.21 -143.97 6.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -149.93 160.31 43.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -61.0 168.06 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.82 -94.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.552 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 31.3 mtm180 -74.17 141.67 45.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -126.75 118.84 22.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.77 59.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HG3' HG12 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.81 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -112.8 177.85 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 62.69 36.38 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 90' ' ' VAL . 11.6 mt -59.65 122.53 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.55 104.81 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.694 HD23 HD21 ' A' ' 24' ' ' LEU . 8.8 mp -87.03 113.69 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.88 122.77 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB2' HD12 ' A' ' 24' ' ' LEU . 26.7 t -99.04 115.22 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -103.09 -35.48 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.66 145.98 59.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.83 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.359 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.01 -5.54 9.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -150.14 148.54 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 16' ' ' LEU . 11.9 tp -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -81.55 138.55 35.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.782 HG21 HG11 ' A' ' 76' ' ' VAL . 4.1 p -139.59 128.49 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 p -126.52 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -166.96 168.8 13.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 m -96.22 110.65 53.36 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.552 0.691 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 137.71 35.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -173.75 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.1 pp -87.5 -43.09 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.662 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -58.71 133.27 52.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 123.65 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.806 HG22 ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -114.74 110.09 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -46.04 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.58 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.2 p80 -142.79 170.42 15.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -118.75 104.02 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -70.78 105.5 3.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD22 HD21 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -97.58 135.74 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.781 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.6 p -140.35 105.6 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -101.2 146.06 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -150.02 163.02 26.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.8 Cg_endo -69.78 1.49 4.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' A' ' 75' ' ' ARG . . . 58.2 39.05 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -117.95 -40.29 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.1 -38.8 2.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 49' ' ' GLY . 4.0 pp -62.7 -41.34 99.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.544 ' N ' HD12 ' A' ' 48' ' ' LEU . . . -90.16 154.73 23.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 147.72 64.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 12.7 pt-20 -104.53 138.96 40.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -88.17 175.35 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.781 ' HB3' HG22 ' A' ' 41' ' ' THR . 77.7 p -155.54 111.63 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.7 m -106.86 138.7 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -83.47 147.18 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.598 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.2 t -132.94 136.96 28.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.75 111.59 2.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.88 -39.94 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLY . . . -38.09 -45.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.508 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.3 ptp180 -105.44 158.44 16.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -115.89 36.13 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -164.49 163.48 22.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.527 ' CG1' HD13 ' A' ' 40' ' ' LEU . 6.0 p -169.13 147.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -97.7 134.14 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD21 HD22 ' A' ' 40' ' ' LEU . 9.6 mt -103.9 95.47 7.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.08 11.46 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 64.47 52.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.713 HD22 ' CE2' ' A' ' 74' ' ' TYR . 30.9 mt -120.79 174.66 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -89.45 -174.51 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 97' ' ' ALA . . . -103.27 -33.01 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -134.56 69.74 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.2 m -152.17 140.62 20.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -84.74 145.67 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.713 ' CE2' HD22 ' A' ' 68' ' ' LEU . 22.0 m-85 -135.77 112.82 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.658 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 11.1 ttt180 -67.76 97.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.782 HG11 HG21 ' A' ' 26' ' ' VAL . 93.4 t -81.99 107.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 75' ' ' ARG . 3.6 mp -101.94 111.51 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.576 HG12 ' HG3' ' A' ' 11' ' ' PRO . 20.2 t -111.94 142.89 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 49.5 m -146.87 125.61 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.515 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -74.38 129.85 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.1 mp -99.4 131.59 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.806 ' CE1' HG22 ' A' ' 35' ' ' VAL . 80.2 m-85 -123.82 169.12 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.58 -45.28 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 -52.48 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.49 40.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -87.7 143.11 27.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 99.5 p -77.14 173.35 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -48.79 177.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.02 129.91 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 14' ' ' LEU . 3.2 m -100.57 126.8 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 p -95.61 152.84 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.05 120.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.4 p -87.92 134.68 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -145.4 91.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 96' ' ' THR . 28.7 tt0 -49.6 151.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.401 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 2.4 p -86.36 173.08 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.472 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -77.79 128.27 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.3 161.37 13.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.23 3.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.6 t -64.58 -61.18 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 67.48 -155.56 52.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 101.83 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 t -89.82 122.54 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.0 t -59.71 128.66 38.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -128.68 110.07 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -94.96 107.31 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.06 102.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -55.12 124.07 15.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -130.39 89.65 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.52 -53.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 62.3 mtm180 -114.81 117.74 31.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -119.38 121.26 30.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 159.39 53.6 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 126.01 12.79 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -116.41 178.05 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 62.49 41.34 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 90' ' ' VAL . 12.9 mt -63.44 131.24 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.63 105.86 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 24' ' ' LEU . 8.4 mp -91.27 117.18 29.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.54 132.92 56.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -109.14 113.49 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -107.16 -30.18 8.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.95 145.1 37.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.91 4.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.8 -4.31 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.458 ' C ' HD12 ' A' ' 68' ' ' LEU . 1.6 m -159.34 147.91 17.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.72 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.9 tp -126.94 127.8 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 2.5 tp-100 -81.13 142.63 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.6 HG21 HG11 ' A' ' 76' ' ' VAL . 3.5 p -148.02 129.18 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -131.38 177.9 7.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.51 ' CD1' ' OG ' ' A' ' 61' ' ' SER . 36.5 p90 -172.69 174.22 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 m -102.66 121.43 49.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.568 0.699 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.59 40.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 173.75 10.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -48.41 63.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.8 128.22 10.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.24 155.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.613 HG22 ' CE1' ' A' ' 82' ' ' TYR . 96.2 t -130.86 106.81 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 mt -38.18 -55.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.868 ' NE2' HG21 ' A' ' 81' ' ' ILE . 6.5 p80 -157.52 156.8 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CD2' ' HA2' ' A' ' 58' ' ' GLY . 24.7 m-85 -105.08 105.18 15.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CE2' ' OG ' ' A' ' 53' ' ' SER . 18.2 t-105 -81.14 104.08 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD21 HG13 ' A' ' 76' ' ' VAL . 1.2 tt -97.66 136.06 38.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -129.61 85.52 2.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.918 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.7 p90 -87.65 150.36 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -174.12 162.94 2.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.663 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo -69.8 103.56 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.566 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . . . -37.49 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' PRO . 83.3 p -39.07 -40.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.5 -38.4 3.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.507 HD12 ' N ' ' A' ' 49' ' ' GLY . 4.2 pp -60.45 -36.72 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.507 ' N ' HD12 ' A' ' 48' ' ' LEU . . . -72.92 163.02 54.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.434 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -175.66 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -120.3 134.98 55.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -119.43 168.77 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' A' ' 39' ' ' TRP . 8.6 t -152.23 147.72 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 54' ' ' VAL . 31.5 m -142.86 126.11 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.86 146.98 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 57' ' ' PRO . 98.4 t -137.69 139.17 26.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 107.98 1.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.524 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . -34.01 -37.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' PRO . . . -39.29 -50.16 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.505 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.1 ptp180 -99.26 157.59 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.51 ' OG ' ' CD1' ' A' ' 28' ' ' TRP . 2.2 t -117.72 27.46 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -150.03 148.17 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 40' ' ' LEU . 2.1 p -154.09 163.89 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -120.52 136.38 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.918 HD22 ' CD1' ' A' ' 42' ' ' TYR . 9.1 mt -106.44 95.3 11.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.68 177.49 5.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.377 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.1 t0 57.49 53.9 7.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 24' ' ' LEU . 20.8 mt -108.99 171.57 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -102.94 -177.48 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB1' ' HD3' ' A' ' 99' ' ' PRO . . . -110.87 131.57 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.09 44.98 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.8 m -153.94 105.75 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -56.95 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 68' ' ' LEU . 32.7 m-85 -151.16 108.55 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' ALA . 10.7 ttm-85 -58.02 93.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.759 HG13 HD21 ' A' ' 40' ' ' LEU . 42.2 t -82.72 106.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.09 107.84 19.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.57 HG22 ' HG ' ' A' ' 40' ' ' LEU . 3.8 t -104.47 151.63 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 23.1 m -150.1 126.73 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.518 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.31 125.87 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.868 HG21 ' NE2' ' A' ' 37' ' ' HIS . 1.1 mp -98.07 136.68 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.613 ' CE1' HG22 ' A' ' 35' ' ' VAL . 72.1 m-85 -130.77 169.68 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.24 -43.64 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.94 -40.79 45.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.56 177.93 44.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -99.81 148.12 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -81.27 174.79 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -53.23 168.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.86 135.89 44.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.433 HG23 HD11 ' A' ' 14' ' ' LEU . 3.6 m -106.47 117.2 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 p -87.67 155.27 20.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.73 124.62 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.1 p -96.12 125.38 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.404 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -132.05 90.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.544 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 43.9 tt0 -47.84 127.72 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.391 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.7 p -71.22 -178.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.7 160.93 19.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.1 p -113.05 147.89 38.25 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.61 0.719 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.539 ' HD3' ' HB1' ' A' ' 70' ' ' ALA . 53.5 Cg_endo -69.75 -22.66 31.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.3 t -52.13 155.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.34 -157.8 31.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 105' ' ' GLY . 53.3 Cg_endo -69.8 167.43 24.53 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 p -39.44 -43.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.6 m -71.27 -39.68 71.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p -63.71 -44.35 93.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -69.73 170.11 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.05 56.61 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 p -112.85 -44.65 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -108.96 172.6 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 -41.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' A' ' 82' ' ' TYR . 5.4 mtp-105 -73.47 124.55 26.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.346 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -139.38 112.43 7.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.83 68.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.64 9.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -106.94 178.07 4.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 62.4 35.97 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD11 HG23 ' A' ' 90' ' ' VAL . 12.5 mt -59.86 131.8 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.64 109.93 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 24' ' ' LEU . 9.7 mp -90.3 119.35 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.14 123.9 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.9 t -100.79 113.28 26.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.79 -30.76 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.83 147.45 35.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.15 -9.68 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 m -154.34 153.58 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.7 tp -133.46 121.53 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -76.23 144.74 40.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG21 HG11 ' A' ' 76' ' ' VAL . 2.5 p -148.02 121.5 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 p -121.7 170.94 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CE2' ' O ' ' A' ' 61' ' ' SER . 26.2 p90 -172.66 168.33 5.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.1 m -96.53 114.65 64.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 141.95 46.31 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -173.94 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -95.19 -42.77 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.83 149.17 5.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 96.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 81' ' ' ILE . 3.9 p -97.46 112.74 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.89 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.462 ' CE1' HG13 ' A' ' 81' ' ' ILE . 5.0 p80 -136.37 174.68 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 44.9 m-85 -116.32 93.41 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.01 107.76 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.719 ' CD2' HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -95.91 156.13 16.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 40' ' ' LEU . 17.9 p -164.89 104.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 52' ' ' LYS . 20.3 p90 -100.48 166.12 11.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -160.14 169.43 10.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.689 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo -69.74 4.19 2.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . . . 62.3 29.18 17.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -105.85 -46.38 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.78 -37.74 3.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.553 ' H ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -79.58 -33.47 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.74 170.1 53.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 171.51 14.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -139.51 127.39 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 42' ' ' TYR . 17.0 mmtp -78.57 -175.77 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 41' ' ' THR . 83.3 p -161.25 141.79 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 40' ' ' LEU . 17.4 m -139.89 142.1 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -88.11 144.22 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.01 131.5 19.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.62 0.724 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.9 18.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -46.9 -32.72 6.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.93 -45.42 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.9 148.36 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.453 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 88.6 p -107.55 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.62 170.04 16.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.537 HG11 HD22 ' A' ' 40' ' ' LEU . 3.5 p -166.03 157.19 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.414 ' OG1' ' NE2' ' A' ' 25' ' ' GLN . 10.7 m -114.85 133.77 55.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.719 HD21 ' CD2' ' A' ' 40' ' ' LEU . 36.5 mt -102.98 96.57 8.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.71 -175.68 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.385 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 46.68 53.42 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 24' ' ' LEU . 12.6 mt -108.08 165.17 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -95.54 -175.19 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.08 152.93 28.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.44 46.71 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -153.69 105.75 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.507 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -57.74 163.7 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 35.6 m-85 -140.12 110.3 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -61.13 98.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 26' ' ' VAL . 93.8 t -86.05 117.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mp -110.26 112.96 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' A' ' 40' ' ' LEU . 5.8 t -114.12 140.98 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -139.09 135.15 33.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.93 119.81 24.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 86' ' ' ARG . 16.2 mm -87.71 147.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 8' ' ' ARG . 65.9 m-85 -145.28 160.77 41.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.43 14.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.63 -52.62 17.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.99 -160.0 11.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.757 ' HB3' HD13 ' A' ' 81' ' ' ILE . 6.4 ptt180 -125.64 131.18 52.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.346 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.4 p -58.29 167.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -52.26 176.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.83 130.74 56.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.659 HG23 HD11 ' A' ' 14' ' ' LEU . 6.7 m -102.33 124.91 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 p -90.82 153.82 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.01 121.67 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 p -98.74 129.18 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -134.81 94.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 18.7 tt0 -47.39 120.8 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -64.0 -179.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.22 131.79 34.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.9 m -45.72 160.22 0.28 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.646 0.736 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 151.5 68.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.1 m -64.15 136.46 57.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.6 -178.74 28.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 158.16 57.92 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.7 p -63.86 -21.3 66.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.3 p -81.86 104.97 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -100.81 145.66 28.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.6 p -132.76 155.72 48.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.5 -151.13 23.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 m -120.81 40.87 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 p -60.27 -55.13 37.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.4 -54.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.542 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 20.6 mtm105 -59.92 118.3 6.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 t -117.4 123.59 29.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.708 0.766 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.522 ' HG3' HG12 ' A' ' 78' ' ' VAL . 54.4 Cg_endo -69.69 127.14 14.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.383 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -113.28 177.54 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 57.7 45.7 18.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 90' ' ' VAL . 11.7 mt -63.52 128.08 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.79 105.82 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.516 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.9 mp -92.35 103.9 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' GLN . . . -113.93 129.41 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.687 ' CB ' HD12 ' A' ' 24' ' ' LEU . 3.2 p -108.61 126.99 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.51 -22.64 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -142.08 148.0 46.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 111.187 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -2.96 11.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.13 -2.07 17.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -152.33 171.42 18.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.687 HD12 ' CB ' ' A' ' 18' ' ' SER . 6.6 tp -145.7 127.84 15.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' ALA . 1.9 tt0 -93.24 137.09 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -143.96 141.22 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -139.64 -179.6 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.6 p90 -170.54 171.27 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.8 m -93.51 115.17 64.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.6 19.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.46 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.1 pp -100.3 -41.74 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.608 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -48.83 152.51 2.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 89.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG11 ' OH ' ' A' ' 38' ' ' TYR . 4.8 p -89.3 116.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.76 -68.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 13.3 p80 -137.87 174.98 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.502 ' OH ' HG11 ' A' ' 35' ' ' VAL . 66.4 m-85 -118.36 97.46 5.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -67.22 113.99 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 63' ' ' VAL . 1.1 tt -106.18 136.45 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.625 HG22 ' HB3' ' A' ' 53' ' ' SER . 7.2 p -134.78 93.12 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.605 ' CD2' HD22 ' A' ' 65' ' ' LEU . 25.4 p90 -91.81 144.25 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.591 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . . . -163.61 159.08 17.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 111.114 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.73 98.82 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -36.91 -48.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.1 m -39.67 -49.68 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.69 49.72 2.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.16 12.38 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -153.4 177.48 30.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 176.21 7.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.734 2.289 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.591 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 6.9 tt0 -102.02 169.62 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -144.76 173.45 11.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.625 ' HB3' HG22 ' A' ' 41' ' ' THR . 21.7 p -164.02 141.34 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.5 131.34 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -71.83 150.53 44.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.5 t -142.13 130.29 11.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HG2' ' CD ' ' A' ' 60' ' ' ARG . 54.1 Cg_endo -69.73 119.88 6.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.45 -35.25 2.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.85 -42.43 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.069 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 8.6 ptp180 -108.16 144.26 35.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -102.47 25.32 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -151.0 162.68 40.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 40' ' ' LEU . 7.8 p -163.12 155.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 m -109.38 141.81 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.605 HD22 ' CD2' ' A' ' 42' ' ' TYR . 57.5 mt -112.5 93.28 22.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.8 Cg_endo -69.71 171.65 14.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.97 55.02 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.928 HD22 ' CE2' ' A' ' 74' ' ' TYR . 30.8 mt -120.7 157.87 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -92.93 -177.68 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 97' ' ' ALA . . . -111.84 146.24 38.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.75 43.29 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.9 m -140.38 143.92 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.605 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -84.41 166.06 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.928 ' CE2' HD22 ' A' ' 68' ' ' LEU . 33.4 m-85 -155.16 105.35 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.67 90.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.09 107.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -102.54 106.18 16.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 11' ' ' PRO . 39.8 t -102.85 139.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.7 m -142.11 130.15 21.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.478 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -80.79 126.05 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -97.0 130.51 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 87.4 m-85 -123.53 165.11 17.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.6 -50.72 31.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.14 43.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.36 167.98 39.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -88.11 144.85 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.426 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 85.6 p -77.79 175.02 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -50.44 173.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.94 133.08 55.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.567 HG23 HD11 ' A' ' 14' ' ' LEU . 5.5 m -106.79 123.48 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.4 p -90.8 156.72 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.53 123.58 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 p -89.91 120.72 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.516 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -124.05 91.53 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -56.94 123.42 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.1 p -61.46 178.27 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.451 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -76.17 135.6 39.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.1 m -76.87 152.87 82.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -41.43 4.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 t -142.36 138.44 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.62 139.31 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -6.5 18.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -133.04 122.72 24.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.2 t -57.94 107.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -72.37 -55.61 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -100.9 124.94 47.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.0 145.56 16.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.456 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m 52.89 42.21 32.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -93.24 87.29 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.15 69.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -133.01 107.35 8.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -122.39 122.46 27.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.81 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 158.12 58.03 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' O ' HG21 ' A' ' 90' ' ' VAL . 54.4 Cg_endo -69.71 126.71 13.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -117.01 177.38 4.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 61.84 35.19 16.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.748 HD11 HG23 ' A' ' 90' ' ' VAL . 10.9 mt -56.41 128.77 37.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.89 106.07 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.697 HD21 ' CG2' ' A' ' 76' ' ' VAL . 10.5 mp -93.01 116.68 29.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.72 132.13 55.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -110.3 114.6 28.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.23 -32.11 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -142.42 145.34 34.46 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 9.23 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.19 -19.09 12.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -150.21 159.54 44.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 68' ' ' LEU . 9.3 tp -135.19 119.66 18.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -79.09 143.87 35.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.745 HG21 HG11 ' A' ' 76' ' ' VAL . 4.7 p -148.73 127.79 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.27 175.2 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -166.28 172.62 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.4 m -96.0 115.4 65.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 0.0 111.196 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.07 22.53 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.99 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 33' ' ' GLY . 4.2 pp -101.05 -39.26 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.58 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -51.89 167.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -84.48 96.95 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.649 HG21 ' CE1' ' A' ' 38' ' ' TYR . 2.4 p -95.12 121.82 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.82 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.56 ' CE1' HG13 ' A' ' 81' ' ' ILE . 5.4 p80 -138.67 166.22 24.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.649 ' CE1' HG21 ' A' ' 35' ' ' VAL . 31.3 m-85 -112.21 90.94 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -61.49 99.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.976 HD13 HG11 ' A' ' 63' ' ' VAL . 1.4 tt -99.41 133.11 44.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.749 HG22 ' OG ' ' A' ' 53' ' ' SER . 7.9 p -133.67 113.5 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.807 ' CD1' HD22 ' A' ' 65' ' ' LEU . 23.3 p90 -106.15 141.23 37.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -148.65 159.32 38.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.6 Cg_endo -69.77 3.05 3.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.79 38.54 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 m -115.34 -44.79 2.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.27 -36.92 3.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 49' ' ' GLY . 3.7 pp -74.7 -41.84 59.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' N ' HD12 ' A' ' 48' ' ' LEU . . . -71.65 168.76 51.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 133.65 26.08 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.537 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 17.6 tt0 -93.56 127.26 39.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 57.8 mmtt -90.94 169.74 10.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.749 ' OG ' HG22 ' A' ' 41' ' ' THR . 11.9 m -164.21 124.88 2.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -108.12 157.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.9 p -100.21 150.2 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.3 t -136.77 134.66 19.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 54.2 Cg_endo -69.69 0.1 6.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 38' ' ' TYR . . . 74.67 -47.97 1.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 13.1 ptm180 -93.73 145.82 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.9 p -103.73 27.67 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -155.56 172.29 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.976 HG11 HD13 ' A' ' 40' ' ' LEU . 9.5 p -173.99 154.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.9 m -114.84 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.807 HD22 ' CD1' ' A' ' 42' ' ' TYR . 14.2 mt -103.51 94.87 6.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 64' ' ' THR . 53.3 Cg_endo -69.8 174.26 9.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.297 . . . . 0.0 112.275 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 57.39 54.99 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.955 HD22 ' CE2' ' A' ' 74' ' ' TYR . 13.3 mt -113.06 169.63 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -108.38 -175.19 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.426 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . . . -114.87 148.06 39.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.58 48.57 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -151.96 142.78 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.3 mppt? -85.68 166.61 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.955 ' CE2' HD22 ' A' ' 68' ' ' LEU . 32.4 m-85 -151.14 111.03 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HD2' HD11 ' A' ' 77' ' ' LEU . 8.8 ttm180 -71.74 94.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 40' ' ' LEU . 88.2 t -78.38 108.81 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.566 HD11 ' HD2' ' A' ' 75' ' ' ARG . 2.2 mp -106.89 105.84 16.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.749 HG22 ' HG ' ' A' ' 40' ' ' LEU . 3.2 t -107.51 143.61 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -143.28 125.3 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.66 120.62 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.682 HD13 ' CB ' ' A' ' 86' ' ' ARG . 7.1 mm -89.14 145.42 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -139.61 158.85 43.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.26 -51.67 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.57 -52.27 22.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.47 -169.33 32.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.682 ' CB ' HD13 ' A' ' 81' ' ' ILE . 5.3 ptt-85 -115.82 134.89 54.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -63.92 175.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -52.58 -176.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 125.78 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.748 HG23 HD11 ' A' ' 14' ' ' LEU . 5.2 m -95.62 124.46 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 p -90.17 154.81 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.6 136.0 11.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.5 p -106.51 114.78 29.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.36 90.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.67 142.64 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 p -85.47 169.51 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.48 164.37 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.4 t -121.85 137.13 26.83 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 70' ' ' ALA . 53.4 Cg_endo -69.82 105.12 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.5 p -44.3 160.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -121.26 -157.6 10.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 146.48 60.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.234 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.5 t -43.57 -49.88 7.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -106.87 153.32 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.434 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -112.34 155.74 23.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.892 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -49.32 143.0 6.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.16 171.82 25.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 58.1 m -155.55 115.98 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.1 m -37.82 -47.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.53 42.91 0.28 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.541 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 24.6 mtm105 -125.06 115.56 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -120.33 128.95 25.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 155.35 66.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HG3' HG12 ' A' ' 78' ' ' VAL . 53.4 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m -111.86 177.79 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 63.37 37.66 10.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' A' ' 92' ' ' ALA . 11.2 mt -57.1 129.79 43.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 109.28 8.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD23 ' HA3' ' A' ' 94' ' ' GLY . 9.0 mp -98.91 117.24 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.37 138.74 50.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -115.33 109.4 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HG3' HG22 ' A' ' 20' ' ' THR . 8.4 pt-20 -111.85 -13.87 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.503 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -148.98 137.04 11.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 111.164 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.73 2.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.435 ' C ' ' HG ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -116.63 -0.9 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.435 ' HG ' ' C ' ' A' ' 22' ' ' ASP . 3.1 m -162.37 154.88 19.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 68' ' ' LEU . 10.1 tp -132.13 130.17 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -84.56 134.74 34.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.014 HG21 HG11 ' A' ' 76' ' ' VAL . 5.9 p -140.81 128.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -132.95 -179.29 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.4 p90 -172.58 172.41 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -94.47 113.95 62.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.29 32.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -168.66 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' H ' HD23 ' A' ' 32' ' ' LEU . 1.1 pt? -98.55 -31.12 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.09 144.99 43.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -64.0 109.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.53 120.34 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 81' ' ' ILE . 38.2 mt -50.75 -65.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.577 ' CE1' HG12 ' A' ' 81' ' ' ILE . 19.6 p80 -145.44 -178.8 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.526 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 74.7 m-85 -120.56 91.67 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -60.29 101.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.611 HD22 HD21 ' A' ' 65' ' ' LEU . 1.2 tt -94.19 140.1 30.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.649 HG22 ' OG ' ' A' ' 53' ' ' SER . 26.3 p -143.01 105.83 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.661 ' CD1' HD22 ' A' ' 65' ' ' LEU . 49.6 p90 -103.26 149.64 24.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -156.83 162.77 26.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.669 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.5 Cg_endo -69.8 3.02 3.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.242 . . . . 0.0 112.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 57.91 39.41 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -118.81 -61.47 1.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.25 36.33 2.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.11 -58.78 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.906 0.384 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.0 -175.68 49.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 153.26 69.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -93.47 130.54 39.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -87.4 163.45 16.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.649 ' OG ' HG22 ' A' ' 41' ' ' THR . 6.4 m -160.94 116.35 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.62 133.29 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.9 t -80.1 143.29 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.605 HG13 ' HD2' ' A' ' 57' ' ' PRO . 89.8 t -132.45 137.2 29.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.605 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.6 Cg_endo -69.83 111.01 2.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -37.15 -35.7 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.69 -45.26 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 13.4 ptp180 -105.05 150.01 25.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -110.3 30.78 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -154.75 153.28 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.621 HG22 ' H ' ' A' ' 64' ' ' THR . 7.9 p -159.99 170.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.621 ' H ' HG22 ' A' ' 63' ' ' VAL . 3.9 m -127.89 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.661 HD22 ' CD1' ' A' ' 42' ' ' TYR . 5.1 mt -109.47 95.78 20.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.81 179.85 3.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.8 54.43 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.561 HD22 ' CE2' ' A' ' 74' ' ' TYR . 38.4 mt -113.89 163.49 15.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 179.81 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.4 146.69 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 58.63 46.88 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.7 m -147.6 143.32 27.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.563 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 3.6 mppt? -86.54 172.92 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 73' ' ' LYS . 67.1 m-85 -158.57 116.21 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' NE ' HD11 ' A' ' 77' ' ' LEU . 8.2 ttt180 -72.4 92.3 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.014 HG11 HG21 ' A' ' 26' ' ' VAL . 63.2 t -79.41 92.69 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.446 HD11 ' NE ' ' A' ' 75' ' ' ARG . 3.6 mp -89.51 113.0 24.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.488 HG12 ' HG3' ' A' ' 11' ' ' PRO . 39.3 t -106.34 151.55 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 p -151.17 130.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.49 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -86.21 121.79 29.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -96.53 119.12 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 70.0 m-85 -111.87 167.28 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.42 -44.19 62.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.36 -48.39 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.77 178.14 47.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -98.56 138.82 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -73.78 177.24 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.48 -177.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.37 128.93 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.489 HG23 HD11 ' A' ' 14' ' ' LEU . 3.5 m -102.28 124.7 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.2 p -85.07 162.32 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.724 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -166.2 117.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.5 p -93.35 116.43 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.504 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -124.64 95.1 0.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.69 128.53 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.8 p -72.22 176.8 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.03 141.62 37.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.73 161.08 64.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.88 27.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.373 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.6 p -99.08 157.26 16.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.44 -172.81 13.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 103' ' ' SER . 53.5 Cg_endo -69.83 3.12 2.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.313 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 102' ' ' PRO . 26.6 t -34.23 -44.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.8 t -92.26 -60.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.532 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -86.13 121.56 28.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -134.93 120.92 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.56 111.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -84.97 88.25 7.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -128.97 137.89 51.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.24 -59.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.606 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.0 ptt85 -99.78 108.63 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.8 123.95 39.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.24 53.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -131.96 177.21 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 61.19 44.37 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 92' ' ' ALA . 13.0 mt -64.6 130.32 43.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.76 105.33 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.53 HD23 ' HA3' ' A' ' 94' ' ' GLY . 8.5 mp -94.61 112.16 23.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.92 127.43 55.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 97' ' ' ALA . 46.0 t -103.81 110.23 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' CG ' HG22 ' A' ' 20' ' ' THR . 13.2 pt-20 -105.39 -23.89 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.501 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -145.98 146.44 28.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.571 0.701 . . . . 0.0 111.142 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.16 3.78 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.24 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -119.76 -6.1 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.1 145.67 28.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 12.3 tp -131.99 116.47 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.92 140.17 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 p -150.0 121.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -124.64 176.64 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -166.82 177.96 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 83.0 m -100.08 117.38 63.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.528 0.68 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 136.06 31.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.55 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.1 tp -93.47 -34.55 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.52 130.64 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -48.57 131.4 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.455 HG11 ' OH ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -123.76 125.68 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.31 -62.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.43 ' CE1' HG12 ' A' ' 81' ' ' ILE . 7.9 p80 -150.87 -179.93 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' OH ' HG11 ' A' ' 35' ' ' VAL . 39.8 m-85 -121.8 93.87 4.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.85 97.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 63' ' ' VAL . 1.1 tt -91.11 135.3 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 53' ' ' SER . 18.7 p -134.43 102.74 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.547 ' CD1' HD22 ' A' ' 65' ' ' LEU . 29.0 p90 -104.74 142.47 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.762 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -163.58 165.86 13.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.762 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo -69.75 103.15 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.0 154.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 m 63.47 37.16 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.41 -110.86 1.52 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt 40.77 33.72 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 0.0 110.953 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 171.86 167.52 32.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 178.07 4.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.295 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -124.49 109.31 13.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -88.88 179.61 6.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.685 ' HB3' HG22 ' A' ' 41' ' ' THR . 81.1 p -167.55 122.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.79 144.75 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -87.45 150.84 23.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.2 t -146.16 135.05 11.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 56' ' ' VAL . 53.7 Cg_endo -69.74 111.95 2.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.84 -36.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.15 -46.45 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -97.27 157.1 16.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -118.56 24.56 10.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -153.47 151.03 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 40' ' ' LEU . 1.7 p -157.79 161.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.6 m -122.15 139.93 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD22 ' CD1' ' A' ' 42' ' ' TYR . 16.8 mt -102.31 97.34 8.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' C ' ' CG ' ' A' ' 67' ' ' ASP . 54.1 Cg_endo -69.77 -179.47 2.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' CG ' ' C ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 49.34 53.01 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.619 HD22 ' CE2' ' A' ' 74' ' ' TYR . 13.0 mt -107.96 176.34 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -110.31 -174.5 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.82 157.64 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 47.8 52.12 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 m -152.89 144.88 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.442 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.4 mptt -91.5 160.77 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.619 ' CE2' HD22 ' A' ' 68' ' ' LEU . 36.7 m-85 -146.35 105.73 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.801 ' HD3' HD11 ' A' ' 77' ' ' LEU . 4.5 ttt85 -67.98 91.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG13 HD21 ' A' ' 40' ' ' LEU . 53.0 t -78.39 114.54 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.801 HD11 ' HD3' ' A' ' 75' ' ' ARG . 2.5 mp -109.35 106.94 16.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.78 148.62 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -149.69 125.99 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -83.33 123.14 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.645 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -92.12 131.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CD2' ' HB3' ' A' ' 8' ' ' ARG . 86.5 m-85 -126.27 154.91 42.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.32 -43.38 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.5 -52.44 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.5 164.06 33.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -86.25 134.45 33.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.2 p -69.98 173.75 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.95 169.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.49 139.62 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.66 118.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 p -84.3 156.95 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -164.74 120.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 p -93.0 119.32 32.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.53 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . -129.24 91.83 0.32 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -52.5 134.87 34.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 p -74.35 -176.82 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.443 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -84.83 158.85 20.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 29.8 p -99.51 151.15 37.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.1 Cg_endo -69.73 -28.3 25.54 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' PRO . 28.8 t -35.22 -46.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.72 146.09 10.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.74 28.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.7 p -125.46 162.25 25.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.3 t -124.1 -61.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -58.24 -62.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -64.87 129.78 41.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.38 49.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -64.72 99.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.356 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -82.82 139.8 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.93 33.83 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.542 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 8' ' ' ARG . 27.0 mtm105 -125.94 93.51 3.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -101.47 114.31 65.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.718 0.771 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 159.0 55.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.81 126.69 13.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.83 177.25 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.12 36.32 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.648 HD11 HG23 ' A' ' 90' ' ' VAL . 12.0 mt -61.24 130.19 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.27 120.9 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 mp -102.27 117.87 35.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 124.51 52.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.744 ' HA ' HD12 ' A' ' 24' ' ' LEU . 20.1 t -97.5 122.24 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.559 ' CG ' HG22 ' A' ' 20' ' ' THR . 5.6 pt-20 -115.46 -26.42 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.559 HG22 ' CG ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -149.45 146.34 20.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' LEU . 53.5 Cg_endo -69.8 4.01 2.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.5 -22.54 12.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.521 ' HB2' HG22 ' A' ' 64' ' ' THR . 71.3 p -151.51 156.87 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 18' ' ' SER . 5.7 tp -131.1 134.89 47.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -85.88 142.43 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 63' ' ' VAL . 6.2 p -143.43 135.49 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -133.8 170.05 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.427 ' HB3' HD23 ' A' ' 14' ' ' LEU . 28.3 p90 -168.68 162.42 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.3 m -88.82 117.1 67.95 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.586 0.708 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 136.78 34.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -168.78 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 tp -99.68 -39.91 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.96 155.4 4.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 99.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 38' ' ' TYR . 1.2 p -99.11 133.02 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.34 -56.44 4.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.949 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.443 ' CE1' HG12 ' A' ' 81' ' ' ILE . 5.8 p80 -146.73 176.03 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 35' ' ' VAL . 34.4 m-85 -120.79 94.16 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -62.6 94.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.663 HD13 ' CG1' ' A' ' 63' ' ' VAL . 1.7 tt -89.48 140.08 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.495 HG22 ' OG ' ' A' ' 53' ' ' SER . 1.7 p -139.1 106.66 5.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.841 ' CD2' HD22 ' A' ' 65' ' ' LEU . 30.0 p90 -105.99 147.54 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.688 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -171.28 163.27 5.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.688 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.7 Cg_endo -69.82 99.9 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . -36.36 -41.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -42.0 -59.82 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.24 54.74 1.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.57 20.75 11.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -176.07 -171.3 39.74 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 174.65 9.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.29 157.03 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -110.03 177.27 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.495 ' OG ' HG22 ' A' ' 41' ' ' THR . 2.4 m -166.22 123.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.23 142.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 t -85.55 149.48 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.513 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 3.0 t -130.08 137.24 30.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.513 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 53.2 Cg_endo -69.83 -0.67 7.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.38 -48.83 1.87 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.81 -41.72 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HD3' ' CG ' ' A' ' 57' ' ' PRO . 13.4 ptt180 -94.42 135.17 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -96.15 32.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -159.68 159.97 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.663 ' CG1' HD13 ' A' ' 40' ' ' LEU . 8.3 p -166.18 147.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 23' ' ' SER . 2.3 m -100.01 136.55 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.841 HD22 ' CD2' ' A' ' 42' ' ' TYR . 7.6 mt -104.24 94.65 7.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.77 175.78 7.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.372 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.21 55.0 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD22 ' CE2' ' A' ' 74' ' ' TYR . 29.2 mt -115.97 160.48 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.8 -176.96 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.497 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . . . -110.16 149.97 29.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 55.5 48.4 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -150.99 143.09 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 74' ' ' TYR . 2.1 mppt? -86.74 170.19 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.549 ' CE2' HD22 ' A' ' 68' ' ' LEU . 59.9 m-85 -155.96 106.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.02 103.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 26' ' ' VAL . 16.6 t -89.83 113.25 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mp -108.32 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG22 ' HG ' ' A' ' 40' ' ' LEU . 12.8 t -111.83 158.94 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 9.6 m -158.06 128.18 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.537 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -79.46 125.34 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.647 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.29 120.33 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.417 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 61.2 m-85 -113.33 162.33 16.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.93 -48.56 11.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.96 -57.53 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.53 168.95 41.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -88.3 142.58 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.6 p -75.94 177.03 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.72 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.08 125.04 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.648 HG23 HD11 ' A' ' 14' ' ' LEU . 3.3 m -99.41 123.61 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -95.68 153.47 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.61 144.91 18.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.3 p -107.94 136.32 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.57 92.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -49.36 141.52 8.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.5 p -84.15 -178.6 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -86.62 145.96 26.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.459 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 16.5 t -107.74 138.3 19.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 70' ' ' ALA . 53.9 Cg_endo -69.72 93.34 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.9 t -117.09 -53.57 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.79 160.17 27.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 103' ' ' SER . 53.3 Cg_endo -69.78 2.84 3.18 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 102' ' ' PRO . 4.7 t -34.86 -61.59 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.6 m -38.77 154.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 90.9 p 37.49 41.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -99.5 -51.54 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.26 -127.28 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -63.08 149.54 44.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.384 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.6 p -92.16 79.86 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.22 -175.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.511 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 45.9 mtm180 -69.82 130.07 41.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -114.72 120.01 38.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.735 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 160.16 50.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' O ' HG21 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.76 127.02 14.0 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -117.86 177.53 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 62.21 34.99 15.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 90' ' ' VAL . 13.5 mt -61.51 130.35 45.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.31 117.01 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 24' ' ' LEU . 9.1 mp -98.85 117.7 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 25' ' ' GLN . . . -114.04 131.3 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -104.38 122.22 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -120.1 -3.73 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 22' ' ' ASP . 3.4 t -175.56 145.25 0.81 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.559 0.695 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.537 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 53.6 Cg_endo -69.76 18.56 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.8 p30 -128.17 -11.18 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -151.17 153.81 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 16' ' ' LEU . 11.2 tp -137.06 111.5 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 6.1 tp-100 -66.96 145.23 55.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG21 HG11 ' A' ' 76' ' ' VAL . 4.1 p -150.19 131.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.4 t -134.35 -178.76 5.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -175.19 -177.91 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -110.14 118.17 50.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 138.69 38.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.624 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.0 pt? -98.03 -29.97 12.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.81 147.85 50.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.518 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.36 106.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.35 131.54 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.55 -62.62 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.499 ' CE1' HG12 ' A' ' 81' ' ' ILE . 6.4 p80 -143.51 -175.5 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -127.31 94.34 3.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.72 100.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.6 tt -93.63 140.83 29.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.754 HG22 ' OG ' ' A' ' 53' ' ' SER . 9.6 p -145.78 105.18 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.488 ' CZ ' ' CB ' ' A' ' 52' ' ' LYS . 51.8 p90 -98.85 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.651 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -169.54 162.34 7.21 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.651 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 54.0 Cg_endo -69.74 91.05 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . . . -34.33 -42.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -55.8 -51.49 67.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' PRO . . . 113.04 45.84 0.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -130.62 43.33 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -179.63 167.35 37.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 177.69 5.32 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -105.81 108.89 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 64.7 mmtt -83.53 172.79 12.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.754 ' OG ' HG22 ' A' ' 41' ' ' THR . 14.4 m -161.25 136.84 7.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.96 161.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.8 p -102.35 154.76 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.8 t -142.63 131.64 11.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' GLY . 53.2 Cg_endo -69.78 112.97 3.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' PRO . . . -35.23 -36.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.51 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -103.95 157.92 16.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -115.3 16.41 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -142.03 159.61 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 ' H ' ' A' ' 64' ' ' THR . 1.5 p -161.9 -179.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.736 ' H ' HG22 ' A' ' 63' ' ' VAL . 2.3 m -134.29 135.82 43.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 42' ' ' TYR . 17.3 mt -103.24 95.85 7.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.76 177.51 5.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 54.6 54.3 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.9 mt -112.83 160.01 18.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -85.65 -174.85 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . . . -115.72 150.45 36.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 51.87 40.0 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -153.22 112.93 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.74 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -64.09 177.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 29.8 m-85 -148.91 111.18 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 43' ' ' ALA . 16.2 ttm180 -57.45 100.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.522 HG11 HG21 ' A' ' 26' ' ' VAL . 40.9 t -86.34 116.27 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mp -112.79 107.06 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.502 HG22 ' HG ' ' A' ' 40' ' ' LEU . 11.8 t -105.3 147.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.44 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -146.73 124.47 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.507 ' C ' HD12 ' A' ' 81' ' ' ILE . . . -77.8 127.52 32.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -98.32 131.71 44.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 8' ' ' ARG . 78.1 m-85 -122.55 163.76 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.46 -44.79 25.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.97 -50.13 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.36 -176.4 41.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -105.39 141.55 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.9 p -74.78 173.18 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.95 178.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.69 134.68 54.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.697 HG23 HD11 ' A' ' 14' ' ' LEU . 3.8 m -105.31 119.78 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -156.75 127.78 6.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.7 p -99.0 128.95 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -140.93 95.99 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.448 ' HA ' ' CA ' ' A' ' 73' ' ' LYS . 48.2 tt0 -50.46 136.61 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -178.77 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.43 169.56 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.72 151.89 43.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.94 1.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.3 t -45.01 -49.17 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.6 144.72 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -22.1 32.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.6 m -92.36 156.37 17.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.4 m -128.02 100.42 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -55.64 156.75 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -154.01 152.73 30.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.31 -74.74 0.74 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -63.5 164.43 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -71.34 146.04 49.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.26 -72.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 64.3 mtm180 -88.31 120.48 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -131.04 120.8 18.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 127.22 14.31 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.704 2.27 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -116.51 175.42 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 62.49 42.38 8.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 92' ' ' ALA . 12.3 mt -63.55 129.8 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 105.93 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.063 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.63 HD23 HD21 ' A' ' 24' ' ' LEU . 9.2 mp -91.07 116.03 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.89 125.76 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 t -98.99 123.78 43.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 20' ' ' THR . 11.5 pt-20 -116.2 -27.58 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.576 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -145.91 147.22 31.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.116 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 4.62 2.09 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -120.68 -3.36 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -155.23 150.74 27.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.63 HD21 HD23 ' A' ' 16' ' ' LEU . 6.8 tp -133.96 121.59 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.01 139.61 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.408 HG21 HG11 ' A' ' 76' ' ' VAL . 2.8 p -142.68 125.26 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 p -125.42 169.11 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CH2' HD12 ' A' ' 40' ' ' LEU . 30.7 p90 -166.23 172.08 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.8 m -95.46 115.35 65.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.46 21.3 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -173.09 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -97.55 -43.73 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.44 138.23 18.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 102.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 81' ' ' ILE . 3.4 p -106.99 112.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.6 -68.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.582 ' CE1' HG13 ' A' ' 81' ' ' ILE . 7.0 p80 -139.2 162.64 34.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.519 ' OH ' HG11 ' A' ' 35' ' ' VAL . 96.9 m-85 -105.69 91.81 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -58.32 106.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.782 ' HG ' HG22 ' A' ' 78' ' ' VAL . 1.1 tt -100.04 132.7 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 53' ' ' SER . 2.0 p -131.72 91.91 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.912 ' CD2' HD22 ' A' ' 65' ' ' LEU . 26.7 p90 -90.93 140.8 29.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 44' ' ' PRO . . . -168.47 168.88 5.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 43' ' ' ALA . 53.9 Cg_endo -69.8 128.47 16.04 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.75 -71.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.8 m -96.89 11.78 34.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' HA3' ' HB2' ' A' ' 44' ' ' PRO . . . -41.15 -32.11 0.6 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mt 45.34 46.56 10.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 50' ' ' PRO . . . -157.84 -133.24 1.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 49' ' ' GLY . 53.5 Cg_endo -69.76 165.55 30.59 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.7 169.28 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 42' ' ' TYR . 25.3 mmtm -132.51 163.16 29.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.619 ' HB3' HG22 ' A' ' 41' ' ' THR . 73.3 p -156.71 152.62 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.8 148.63 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.2 p -90.65 141.43 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -135.5 125.5 16.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' GLY . 54.1 Cg_endo -69.74 119.41 6.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.401 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -36.57 -38.71 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.27 -44.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -104.71 156.54 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -117.56 35.92 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -165.91 166.56 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.535 ' CG1' HD13 ' A' ' 40' ' ' LEU . 3.7 p -170.56 152.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -103.06 135.53 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.912 HD22 ' CD2' ' A' ' 42' ' ' TYR . 12.0 mt -103.62 94.72 6.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 65' ' ' LEU . 53.2 Cg_endo -69.77 -179.38 2.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.74 55.02 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.652 HD22 ' CE2' ' A' ' 74' ' ' TYR . 19.4 mt -115.06 162.86 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -100.09 -175.8 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.52 146.68 40.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 59.35 50.99 7.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.0 m -157.29 131.18 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 2.4 mppt? -79.84 154.05 28.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.652 ' CE2' HD22 ' A' ' 68' ' ' LEU . 20.0 m-85 -134.91 98.18 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' ALA . 2.6 ttm180 -53.68 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG2' HD21 ' A' ' 16' ' ' LEU . 73.4 t -80.5 118.75 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.16 107.84 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.782 HG22 ' HG ' ' A' ' 40' ' ' LEU . 46.9 t -107.52 146.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m -144.55 120.45 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.1 121.08 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 86' ' ' ARG . 18.8 mm -88.02 143.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 8' ' ' ARG . 58.7 m-85 -136.17 159.73 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.12 -48.74 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.83 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -164.58 -164.42 19.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.584 ' HB3' HD13 ' A' ' 81' ' ' ILE . 2.8 ptt180 -119.38 137.1 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.3 p -64.33 171.32 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -50.39 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.58 119.78 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 m -95.72 129.06 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.8 p -90.22 161.85 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -163.25 125.85 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 p -98.47 123.77 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA3' ' CD2' ' A' ' 16' ' ' LEU . . . -135.25 98.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.52 135.31 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 p -77.35 -178.76 5.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.88 124.23 32.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.21 161.49 3.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.724 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.8 Cg_endo -69.71 2.74 3.23 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 99' ' ' PRO . 1.1 t -34.44 -56.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.13 146.14 5.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.61 7.16 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.7 t -90.81 88.33 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.7 m -91.15 81.72 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.53 -179.947 . . . . . . . . 0 0 . 1 stop_ save_